AB00295692-02
TL;DR: AB00295692-02 (CAS 512838-49-2) is a chemical compound with molecular formula C19H17NO6S2 and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: AB00295692-02, 2-((1-(3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl)thio)benzoic acid, 2-({1-[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)benzoic acid, F1457-0027, 2-[1-(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
| Molecular Formula | C19H17NO6S2 |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 3.27394 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.04974 |
| Heavy Atoms | 28 |
| Complexity | 996.30524 |
Chemical Identifiers
| CAS Number | 512838-49-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C |
Product Overview
AB00295692-02 (CAS 512838-49-2), with molecular formula C19H17NO6S2 and molecular weight 419.05 g/mol. IUPAC: 2-[1-(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of AB00295692-02
Property Insights of AB00295692-02
The XLogP value of 3.27394 indicates that AB00295692-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00295692-02. Following Lipinski's Rule of Five, AB00295692-02 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 AB00295692-02?
The CAS number of AB00295692-02 is 512838-49-2.
What is the molecular formula of AB00295692-02?
The molecular formula of AB00295692-02 is C19H17NO6S2.
What is the molecular weight of AB00295692-02?
The molecular weight of AB00295692-02 is 419.05 g/mol.
Where can I buy AB00295692-02?
You can request a quote for AB00295692-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00295692-02?
Yes, KEHONG BIO provides custom synthesis services for AB00295692-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.