VU0607598-1
TL;DR: VU0607598-1 (CAS 372185-34-7) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
Also Known As: VU0607598-1, 3-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid, 3-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, F3259-0405, 3-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 1.0488 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 1082.0664 |
Chemical Identifiers
| CAS Number | 372185-34-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC(=O)O)CC3=CC=CC=C3 |
Product Overview
VU0607598-1 (CAS 372185-34-7), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: 3-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid.
Chemical Property Profile of VU0607598-1
Property Insights of VU0607598-1
The XLogP value of 1.0488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0607598-1. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0607598-1. Following Lipinski's Rule of Five, VU0607598-1 has 1 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 VU0607598-1?
The CAS number of VU0607598-1 is 372185-34-7.
What is the molecular formula of VU0607598-1?
The molecular formula of VU0607598-1 is C17H18N4O4S.
What is the molecular weight of VU0607598-1?
The molecular weight of VU0607598-1 is 374.10 g/mol.
Where can I buy VU0607598-1?
You can request a quote for VU0607598-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0607598-1?
Yes, KEHONG BIO provides custom synthesis services for VU0607598-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.