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Heterocyclic compounds

Orb3135160

Also known as 10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 14-(aminomethyl)-7-ethyl-7-hydroxy-, (7S)-, 2,2,2-trifluoroacetate (1:1)

CAS 2378428-15-8Formula C24H20F3N3O8Molar mass 535.43 g/mol
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Orb3135160 chemical structure, C24H20F3N3O8, CAS 2378428-15-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2378428-15-8
Formula
C24H20F3N3O8
Molar mass
535.43 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Orb3135160?

Plain description, key identifiers and synonyms

Orb3135160 is a chemical substance with the molecular formula C24H20F3N3O8 and a molar mass of 535.43 g/mol. Its CAS registry number is 2378428-15-8. The IUPAC name is (5S)-14-(aminomethyl)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione, 2,2,2-trifluoroacetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5S)-14-(aminomethyl)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione, 2,2,2-trifluoroacetic acid
CAS number
2378428-15-8
Molecular formula
C24H20F3N3O8
InChIKey
PABUKRYWAGGNIX-FTBISJDPSA-N
InChI
InChI=1S/C22H19N3O6.C2HF3O2/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19;3-2(4,5)1(6)7/h3-5,28H,2,6-9,23H2,1H3;(H,6,7)/t22-;/m0./s1
Canonical SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN)OCO3.O=C(O)C(F)(F)F
Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CN)O.C(=O)(C(F)(F)F)O

Synonyms

  • 10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 14-(aminomethyl)-7-ethyl-7-hydroxy-, (7S)-, 2,2,2-trifluoroacetate (1:1)

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
535.43 g/molcalc.
Exact mass
535.1202 Dacalc.
LogP (octanol/water)
1.9calc.
Topological polar surface area
163.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
38calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)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, O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2cc4c(cc2nc1-3)OCO4

O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2cc4c(cc2nc1-3)OCO4

6 rings, 26 atoms.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb3135160 suppliers

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Orb3135160 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb3135160 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3135160 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3135160, based on the data on this page

What is Orb3135160?

Orb3135160 is a chemical substance with the molecular formula C24H20F3N3O8 and a molar mass of 535.43 g/mol. Its CAS registry number is 2378428-15-8.

What is the CAS number of Orb3135160?

The CAS registry number of Orb3135160 is 2378428-15-8.

What is the molecular formula and weight of Orb3135160?

The molecular formula of Orb3135160 is C24H20F3N3O8 and its molar mass is 535.43 g/mol.

Is Orb3135160 hazardous?

No GHS hazard classification for Orb3135160 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3135160?

Orb3135160 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3135160?

Post a free request on CompoundList and suppliers of Orb3135160 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3135160?

Suppliers quote Orb3135160 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

Practical guides that help when you source, ship or handle Orb3135160

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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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