AB01286957-01
TL;DR: AB01286957-01 (CAS 333752-37-7) is a chemical compound with molecular formula C17H18N6O2 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propanenitrile
Also Known As: AB01286957-01, F0887-0056, 3-(8-(benzylamino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile, 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propanenitrile, 2-[8-(BENZYLAMINO)-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]ETHYL CYANIDE
| Molecular Formula | C17H18N6O2 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 0.95948 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1491 |
| Heavy Atoms | 25 |
| Complexity | 1068.9319 |
Chemical Identifiers
| CAS Number | 333752-37-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCC#N |
Product Overview
AB01286957-01 (CAS 333752-37-7), with molecular formula C17H18N6O2 and molecular weight 338.15 g/mol. IUPAC: 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propanenitrile.
Chemical Property Profile of AB01286957-01
Property Insights of AB01286957-01
The XLogP value of 0.95948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01286957-01. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01286957-01. Following Lipinski's Rule of Five, AB01286957-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01286957-01?
The CAS number of AB01286957-01 is 333752-37-7.
What is the molecular formula of AB01286957-01?
The molecular formula of AB01286957-01 is C17H18N6O2.
What is the molecular weight of AB01286957-01?
The molecular weight of AB01286957-01 is 338.15 g/mol.
Where can I buy AB01286957-01?
You can request a quote for AB01286957-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01286957-01?
Yes, KEHONG BIO provides custom synthesis services for AB01286957-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.