AB01278728-01
TL;DR: AB01278728-01 (CAS 897454-06-7) is a chemical compound with molecular formula C17H18ClN5O3S and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: AB01278728-01, F2599-0121, N-[(2-chlorophenyl)methyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide, N-[(2-chlorophenyl)methyl]-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, N-(2-chlorobenzyl)-2-((1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C17H18ClN5O3S |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 1.0326 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.08188 |
| Heavy Atoms | 27 |
| Complexity | 1147.902 |
Chemical Identifiers
| CAS Number | 897454-06-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NCC3=CC=CC=C3Cl |
Product Overview
AB01278728-01 (CAS 897454-06-7), with molecular formula C17H18ClN5O3S and molecular weight 407.08 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of AB01278728-01
Property Insights of AB01278728-01
The XLogP value of 1.0326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01278728-01. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01278728-01. Following Lipinski's Rule of Five, AB01278728-01 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 AB01278728-01?
The CAS number of AB01278728-01 is 897454-06-7.
What is the molecular formula of AB01278728-01?
The molecular formula of AB01278728-01 is C17H18ClN5O3S.
What is the molecular weight of AB01278728-01?
The molecular weight of AB01278728-01 is 407.08 g/mol.
Where can I buy AB01278728-01?
You can request a quote for AB01278728-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01278728-01?
Yes, KEHONG BIO provides custom synthesis services for AB01278728-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.