BAS 00844569
TL;DR: BAS 00844569 (CAS 332897-28-6) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: BAS 00844569, AB00667616-01, F0372-0491, methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate, methyl 2-((3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.43362 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 1128.5725 |
Chemical Identifiers
| CAS Number | 332897-28-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC(C)C(=O)OC)N(C(=O)NC3=O)C |
Product Overview
BAS 00844569 (CAS 332897-28-6), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of BAS 00844569
Property Insights of BAS 00844569
The XLogP value of 1.43362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00844569. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844569. Following Lipinski's Rule of Five, BAS 00844569 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 00844569?
The CAS number of BAS 00844569 is 332897-28-6.
What is the molecular formula of BAS 00844569?
The molecular formula of BAS 00844569 is C18H20N4O4S.
What is the molecular weight of BAS 00844569?
The molecular weight of BAS 00844569 is 388.12 g/mol.
Where can I buy BAS 00844569?
You can request a quote for BAS 00844569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844569?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.