AB00687132-01
TL;DR: AB00687132-01 (CAS 872696-32-7) is a chemical compound with molecular formula C19H21NO7S2 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
Also Known As: AB00687132-01, 2-[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid, F1951-0115, (Z)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)succinic acid, 2-[(5Z)-5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
| Molecular Formula | C19H21NO7S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.0032 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.07596 |
| Heavy Atoms | 29 |
| Complexity | 852.9595 |
Chemical Identifiers
| CAS Number | 872696-32-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O)OC |
Product Overview
AB00687132-01 (CAS 872696-32-7), with molecular formula C19H21NO7S2 and molecular weight 439.08 g/mol. IUPAC: 2-[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid.
Chemical Property Profile of AB00687132-01
Property Insights of AB00687132-01
The XLogP value of 3.0032 indicates that AB00687132-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687132-01. Following Lipinski's Rule of Five, AB00687132-01 has 2 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 AB00687132-01?
The CAS number of AB00687132-01 is 872696-32-7.
What is the molecular formula of AB00687132-01?
The molecular formula of AB00687132-01 is C19H21NO7S2.
What is the molecular weight of AB00687132-01?
The molecular weight of AB00687132-01 is 439.08 g/mol.
Where can I buy AB00687132-01?
You can request a quote for AB00687132-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687132-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687132-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.