BAS 00491838
TL;DR: BAS 00491838 (CAS 331725-96-3) is a chemical compound with molecular formula C19H21BrN4O4S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
Also Known As: BAS 00491838, ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate, ethyl 2-((7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)butanoate, ethyl 2-({7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate, ETHYL 2-{[7-(3-BROMOBENZYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}BUTANOATE
| Molecular Formula | C19H21BrN4O4S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 2.6679 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.0467 |
| Heavy Atoms | 29 |
| Complexity | 1167.206 |
Chemical Identifiers
| CAS Number | 331725-96-3 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
BAS 00491838 (CAS 331725-96-3), with molecular formula C19H21BrN4O4S and molecular weight 480.05 g/mol. IUPAC: ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate.
Chemical Property Profile of BAS 00491838
Property Insights of BAS 00491838
The XLogP value of 2.6679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491838. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491838. Following Lipinski's Rule of Five, BAS 00491838 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 00491838?
The CAS number of BAS 00491838 is 331725-96-3.
What is the molecular formula of BAS 00491838?
The molecular formula of BAS 00491838 is C19H21BrN4O4S.
What is the molecular weight of BAS 00491838?
The molecular weight of BAS 00491838 is 480.05 g/mol.
Where can I buy BAS 00491838?
You can request a quote for BAS 00491838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491838?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.