BAS 03819144
TL;DR: BAS 03819144 (CAS 371233-91-9) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate
Also Known As: BAS 03819144, 2-[1,3-Dimethyl-7-(3-methyl-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester, methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate, methyl 2-((1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate, methyl 2-{[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 371233-91-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC(C)C(=O)OC)N(C(=O)N(C3=O)C)C |
| InChIKey | OSHCFTBAOPNJIZ-UHFFFAOYSA-N |
Product Overview
BAS 03819144 (CAS 371233-91-9), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of BAS 03819144
Property Insights of BAS 03819144
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03819144. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03819144. Following Lipinski's Rule of Five, BAS 03819144 has 0 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 03819144?
The CAS number of BAS 03819144 is 371233-91-9.
What is the molecular formula of BAS 03819144?
The molecular formula of BAS 03819144 is C19H22N4O4S.
What is the molecular weight of BAS 03819144?
The molecular weight of BAS 03819144 is 402.14 g/mol.
Where can I buy BAS 03819144?
You can request a quote for BAS 03819144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03819144?
Yes, KEHONG BIO provides custom synthesis services for BAS 03819144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.