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Heterocyclic building blocks

Orb1308002

Also known as MT-802?

CAS 2231744-29-7Formula C41H41N9O8Molar mass 787.83 g/mol
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Orb1308002 chemical structure, C41H41N9O8, CAS 2231744-29-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2231744-29-7
Formula
C41H41N9O8
Molar mass
787.83 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Orb1308002?

Plain description, key identifiers and synonyms

Orb1308002 is a chemical substance with the molecular formula C41H41N9O8 and a molar mass of 787.83 g/mol. Its CAS registry number is 2231744-29-7. The IUPAC name is 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CAS number
2231744-29-7
Molecular formula
C41H41N9O8
InChIKey
AJTLGUJXIKEZCQ-UHFFFAOYSA-N
InChI
InChI=1S/C41H41N9O8/c42-37-35-36(25-6-9-29(10-7-25)58-28-4-2-1-3-5-28)47-50(38(35)44-24-43-37)27-14-16-48(17-15-27)18-19-56-20-21-57-23-34(52)45-26-8-11-30-31(22-26)41(55)49(40(30)54)32-12-13-33(51)46-39(32)53/h1-11,22,24,27,32H,12-21,23H2,(H,45,52)(H2,42,43,44)(H,46,51,53)
SMILES (canonical and isomeric)
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N

Synonyms

  • MT-802?

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
787.83 g/molcalc.
Exact mass
787.3078 Dacalc.
LogP (octanol/water)
3.58calc.
Topological polar surface area
213.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
14calc.
Heavy atoms
58calc.
Rings
8calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 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, O=C1CCC(N2C(=O)c3ccc(NC(=O)COCCOCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6cncnc65)CC4)cc3C2=O)C(=O)N1

O=C1CCC(N2C(=O)c3ccc(NC(=O)COCCOCCN4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6cncnc65)CC4)cc3C2=O)C(=O)N1

8 rings, 57 atoms.

No other chemical in our database has 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.

Orb1308002 suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    Orb1308002Grade, purity and minimum order on request
    Price on request
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Orb1308002 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 Orb1308002 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1308002 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1308002, based on the data on this page

What is Orb1308002?

Orb1308002 is a chemical substance with the molecular formula C41H41N9O8 and a molar mass of 787.83 g/mol. Its CAS registry number is 2231744-29-7.

What is the CAS number of Orb1308002?

The CAS registry number of Orb1308002 is 2231744-29-7.

What is the molecular formula and weight of Orb1308002?

The molecular formula of Orb1308002 is C41H41N9O8 and its molar mass is 787.83 g/mol.

What is Orb1308002 used for?

Known uses and roles of Orb1308002 include building blocks in research and laboratory.

Is Orb1308002 hazardous?

No GHS hazard classification for Orb1308002 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 Orb1308002?

Orb1308002 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1308002?

CompoundList lists 1 supplier of Orb1308002 in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1308002?

Suppliers quote Orb1308002 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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