BAS 00619008
TL;DR: BAS 00619008 (CAS 331839-78-2) is a chemical compound with molecular formula C18H19ClN4O4S and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: BAS 00619008, AB00431613-05, AB00431613-10, ethyl 2-((7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, F0373-0885
| Molecular Formula | C18H19ClN4O4S |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 2.1687 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.08154 |
| Heavy Atoms | 28 |
| Complexity | 1133.4236 |
Chemical Identifiers
| CAS Number | 331839-78-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00619008 (CAS 331839-78-2), with molecular formula C18H19ClN4O4S and molecular weight 422.08 g/mol. IUPAC: ethyl 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of BAS 00619008
Property Insights of BAS 00619008
The XLogP value of 2.1687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619008. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619008. Following Lipinski's Rule of Five, BAS 00619008 has 1 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 BAS 00619008?
The CAS number of BAS 00619008 is 331839-78-2.
What is the molecular formula of BAS 00619008?
The molecular formula of BAS 00619008 is C18H19ClN4O4S.
What is the molecular weight of BAS 00619008?
The molecular weight of BAS 00619008 is 422.08 g/mol.
Where can I buy BAS 00619008?
You can request a quote for BAS 00619008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619008?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.