BAS 00844567
TL;DR: BAS 00844567 (CAS 332897-27-5) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 00844567, AB00684209-01, AB00684209-02, F0372-0489, 3-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 1.34682 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 1096.3164 |
Chemical Identifiers
| CAS Number | 332897-27-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C |
Product Overview
BAS 00844567 (CAS 332897-27-5), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 3-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of BAS 00844567
Property Insights of BAS 00844567
The XLogP value of 1.34682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00844567. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844567. Following Lipinski's Rule of Five, BAS 00844567 has 2 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 BAS 00844567?
The CAS number of BAS 00844567 is 332897-27-5.
What is the molecular formula of BAS 00844567?
The molecular formula of BAS 00844567 is C17H18N4O4S.
What is the molecular weight of BAS 00844567?
The molecular weight of BAS 00844567 is 374.10 g/mol.
Where can I buy BAS 00844567?
You can request a quote for BAS 00844567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844567?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.