VU0507603-1
TL;DR: VU0507603-1 (CAS 831228-85-4) is a chemical compound with molecular formula C18H15NO6S2 and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methoxycarbonyl-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: VU0507603-1, 2-((1-(3-(methoxycarbonyl)-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, 2-({1-[3-(methoxycarbonyl)-5-methylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid, F3023-0286, 2-[1-(3-methoxycarbonyl-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
| Molecular Formula | C18H15NO6S2 |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | 2.96552 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.0341 |
| Heavy Atoms | 27 |
| Complexity | 951.07855 |
Chemical Identifiers
| CAS Number | 831228-85-4 |
|---|---|
| SMILES | CC1=CC(=C(S1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C(=O)OC |
Product Overview
VU0507603-1 (CAS 831228-85-4), with molecular formula C18H15NO6S2 and molecular weight 405.03 g/mol. IUPAC: 2-[1-(3-methoxycarbonyl-5-methylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of VU0507603-1
Property Insights of VU0507603-1
The XLogP value of 2.96552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0507603-1. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0507603-1. Following Lipinski's Rule of Five, VU0507603-1 has 1 hydrogen bond donor(s) and 7 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 VU0507603-1?
The CAS number of VU0507603-1 is 831228-85-4.
What is the molecular formula of VU0507603-1?
The molecular formula of VU0507603-1 is C18H15NO6S2.
What is the molecular weight of VU0507603-1?
The molecular weight of VU0507603-1 is 405.03 g/mol.
Where can I buy VU0507603-1?
You can request a quote for VU0507603-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0507603-1?
Yes, KEHONG BIO provides custom synthesis services for VU0507603-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.