AB00667648-01
TL;DR: AB00667648-01 (CAS 330179-59-4) is a chemical compound with molecular formula C20H25ClN4O4S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: AB00667648-01, AB00667648-02, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0373-0683, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
| Molecular Formula | C20H25ClN4O4S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 2.6548 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.1285 |
| Heavy Atoms | 30 |
| Complexity | 1120.7673 |
Chemical Identifiers
| CAS Number | 330179-59-4 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
AB00667648-01 (CAS 330179-59-4), with molecular formula C20H25ClN4O4S and molecular weight 452.13 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione.
Chemical Property Profile of AB00667648-01
Property Insights of AB00667648-01
The XLogP value of 2.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00667648-01. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667648-01. Following Lipinski's Rule of Five, AB00667648-01 has 2 hydrogen bond donor(s) and 6 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 AB00667648-01?
The CAS number of AB00667648-01 is 330179-59-4.
What is the molecular formula of AB00667648-01?
The molecular formula of AB00667648-01 is C20H25ClN4O4S.
What is the molecular weight of AB00667648-01?
The molecular weight of AB00667648-01 is 452.13 g/mol.
Where can I buy AB00667648-01?
You can request a quote for AB00667648-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667648-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667648-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.