AB01289345-01
TL;DR: AB01289345-01 (CAS 445429-01-6) is a chemical compound with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethylpurine-2,6-dione
Also Known As: AB01289345-01, AN-648/40925484, 1-(2-chlorobenzyl)-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethylpurine-2,6-dione, 1-[(2-CHLOROPHENYL)METHYL]-8-(ETHYLSULFANYL)-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C16H17ClN4O2S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 2.2474 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.07608 |
| Heavy Atoms | 24 |
| Complexity | 1034.9591 |
Chemical Identifiers
| CAS Number | 445429-01-6 |
|---|---|
| SMILES | CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl |
Product Overview
AB01289345-01 (CAS 445429-01-6), with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01289345-01
Property Insights of AB01289345-01
The XLogP value of 2.2474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01289345-01. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289345-01. Following Lipinski's Rule of Five, AB01289345-01 has 0 hydrogen bond donor(s) and 4 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 AB01289345-01?
The CAS number of AB01289345-01 is 445429-01-6.
What is the molecular formula of AB01289345-01?
The molecular formula of AB01289345-01 is C16H17ClN4O2S.
What is the molecular weight of AB01289345-01?
The molecular weight of AB01289345-01 is 364.08 g/mol.
Where can I buy AB01289345-01?
You can request a quote for AB01289345-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289345-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289345-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.