![3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid structure](/static/products/3269/326918-97-2.webp)
3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
TL;DR: 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid (CAS 326918-97-2) is a chemical compound with molecular formula C16H15BrN4O4S and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 00491834, AB00832556-06, 3-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-({7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid, 3-{[7-(3-bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
| Molecular Formula | C16H15BrN4O4S |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 1.8009 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.99973 |
| Heavy Atoms | 26 |
| Complexity | 1101.8033 |
Chemical Identifiers
| CAS Number | 326918-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CC3=CC(=CC=C3)Br |
Product Overview
3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid (CAS 326918-97-2), with molecular formula C16H15BrN4O4S and molecular weight 438.00 g/mol. IUPAC: 3-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Property Insights of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
The XLogP value of 1.8009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid. Following Lipinski's Rule of Five, 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid 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 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid?
The CAS number of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid is 326918-97-2.
What is the molecular formula of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid?
The molecular formula of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid is C16H15BrN4O4S.
What is the molecular weight of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid?
The molecular weight of 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid is 438.00 g/mol.
Where can I buy 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid?
You can request a quote for 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[7-[(3-Bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.