VU0507604-1
TL;DR: VU0507604-1 (CAS 830352-05-1) is a chemical compound with molecular formula C21H20N2O6S2 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: VU0507604-1, AB00689041-01, AS-871/43476036, 2-({1-[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid, F3023-0287
| Molecular Formula | C21H20N2O6S2 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 3.1769 |
| Topological Polar Surface Area | 113.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.0763 |
| Heavy Atoms | 31 |
| Complexity | 1095.5343 |
Chemical Identifiers
| CAS Number | 830352-05-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)O |
Product Overview
VU0507604-1 (CAS 830352-05-1), with molecular formula C21H20N2O6S2 and molecular weight 460.08 g/mol. IUPAC: 2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of VU0507604-1
Property Insights of VU0507604-1
The XLogP value of 3.1769 indicates that VU0507604-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.87 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0507604-1. Following Lipinski's Rule of Five, VU0507604-1 has 1 hydrogen bond donor(s) and 8 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 VU0507604-1?
The CAS number of VU0507604-1 is 830352-05-1.
What is the molecular formula of VU0507604-1?
The molecular formula of VU0507604-1 is C21H20N2O6S2.
What is the molecular weight of VU0507604-1?
The molecular weight of VU0507604-1 is 460.08 g/mol.
Where can I buy VU0507604-1?
You can request a quote for VU0507604-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0507604-1?
Yes, KEHONG BIO provides custom synthesis services for VU0507604-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.