BAS 00491837
TL;DR: BAS 00491837 (CAS 326918-99-4) is a chemical compound with molecular formula C18H19BrN4O4S and molecular weight 466.03 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]sulfanylpropanoate
Also Known As: BAS 00491837, ethyl 2-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate, AB01298893-01, ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate, ethyl 2-((7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate
| Molecular Formula | C18H19BrN4O4S |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 2.2778 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.03104 |
| Heavy Atoms | 28 |
| Complexity | 1150.6736 |
Chemical Identifiers
| CAS Number | 326918-99-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
BAS 00491837 (CAS 326918-99-4), with molecular formula C18H19BrN4O4S and molecular weight 466.03 g/mol. IUPAC: ethyl 2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of BAS 00491837
Property Insights of BAS 00491837
The XLogP value of 2.2778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491837. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491837. Following Lipinski's Rule of Five, BAS 00491837 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 00491837?
The CAS number of BAS 00491837 is 326918-99-4.
What is the molecular formula of BAS 00491837?
The molecular formula of BAS 00491837 is C18H19BrN4O4S.
What is the molecular weight of BAS 00491837?
The molecular weight of BAS 00491837 is 466.03 g/mol.
Where can I buy BAS 00491837?
You can request a quote for BAS 00491837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491837?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.