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Heterocyclic building blocks

RefChem:310037

CAS 784157-49-9Formula C28H35N11O9S2Molar mass 733.79 g/molEC 424-260-3
GHS signal word: Danger. Pictograms: Corrosive, Serious health hazard, Hazardous to the environment
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RefChem:310037 chemical structure, C28H35N11O9S2, CAS 784157-49-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
784157-49-9
Formula
C28H35N11O9S2
Molar mass
733.79 g/mol
EC number
424-260-3
HS code
293590
Category
Heterocyclic building blocks

What is RefChem:310037?

Plain description, key identifiers and synonyms

RefChem:310037 is a chemical substance with the molecular formula C28H35N11O9S2 and a molar mass of 733.79 g/mol. Its CAS registry number is 784157-49-9. The IUPAC name is 7-[[4-[(2-amino-1-formyloxypropan-2-yl)amino]-6-(2-aminopropylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-6-[(2-methoxy-6-methyl-4-sulfamoylphenyl)diazenyl]naphthalene-2-sulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-[[4-[(2-amino-1-formyloxypropan-2-yl)amino]-6-(2-aminopropylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-6-[(2-methoxy-6-methyl-4-sulfamoylphenyl)diazenyl]naphthalene-2-sulfonic acid
CAS number
784157-49-9
EC number
424-260-3
Molecular formula
C28H35N11O9S2
InChIKey
PHOYJWWEPGWYCB-UHFFFAOYSA-N
InChI
InChI=1S/C28H35N11O9S2/c1-14-5-17(49(31,42)43)9-23(47-4)24(14)39-38-21-10-19-16(6-18(8-22(19)41)50(44,45)46)7-20(21)33-26-34-25(32-11-15(2)29)35-27(36-26)37-28(3,30)12-48-13-40/h5-10,13,15,41H,11-12,29-30H2,1-4H3,(H2,31,42,43)(H,44,45,46)(H3,32,33,34,35,36,37)
SMILES (canonical and isomeric)
CC1=CC(=CC(=C1N=NC2=CC3=C(C=C(C=C3C=C2NC4=NC(=NC(=N4)NCC(C)N)NC(C)(COC=O)N)S(=O)(=O)O)O)OC)S(=O)(=O)N

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
733.79 g/molcalc.
Exact mass
733.2061 Dacalc.
LogP (octanol/water)
2.12calc.
Topological polar surface area
321.8 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
15calc.
Heavy atoms
50calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(N=Nc2cc3ccccc3cc2Nc2ncncn2)cc1

c1ccc(N=Nc2cc3ccccc3cc2Nc2ncncn2)cc1

4 rings, 25 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H318Causes serious eye damage.
  • H361Suspected of damaging fertility or the unborn child.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (10)
  • P203Obtain, read and follow all safety instructions before use.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

RefChem:310037 suppliers

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RefChem:310037 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code RefChem:310037 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for RefChem:310037 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:310037, based on the data on this page

What is RefChem:310037?

RefChem:310037 is a chemical substance with the molecular formula C28H35N11O9S2 and a molar mass of 733.79 g/mol. Its CAS registry number is 784157-49-9.

What is the CAS number of RefChem:310037?

The CAS registry number of RefChem:310037 is 784157-49-9.

What is the molecular formula and weight of RefChem:310037?

The molecular formula of RefChem:310037 is C28H35N11O9S2 and its molar mass is 733.79 g/mol.

What is RefChem:310037 used for?

Known uses and roles of RefChem:310037 include building blocks in research and laboratory.

Is RefChem:310037 hazardous?

RefChem:310037 carries the GHS signal word "Danger". Main hazards: causes serious eye damage, suspected of damaging fertility or the unborn child, toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of RefChem:310037?

RefChem:310037 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:310037?

Post a free request on CompoundList and suppliers of RefChem:310037 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:310037?

Suppliers quote RefChem:310037 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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