AB00114432-01
TL;DR: AB00114432-01 (CAS 329227-67-0) is a chemical compound with molecular formula C20H17NO5S2 and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: AB00114432-01, 4-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, (Z)-4-(5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, 4-[5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, 4-[(5Z)-5-[(4-ETHOXY-3-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BENZOIC ACID
| Molecular Formula | C20H17NO5S2 |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 4.1979 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.0548 |
| Heavy Atoms | 28 |
| Complexity | 969.0614 |
Chemical Identifiers
| CAS Number | 329227-67-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)OC |
Product Overview
AB00114432-01 (CAS 329227-67-0), with molecular formula C20H17NO5S2 and molecular weight 415.05 g/mol. IUPAC: 4-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of AB00114432-01
Property Insights of AB00114432-01
The XLogP value of 4.1979 indicates that AB00114432-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114432-01. Following Lipinski's Rule of Five, AB00114432-01 has 1 hydrogen bond donor(s) and 6 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 AB00114432-01?
The CAS number of AB00114432-01 is 329227-67-0.
What is the molecular formula of AB00114432-01?
The molecular formula of AB00114432-01 is C20H17NO5S2.
What is the molecular weight of AB00114432-01?
The molecular weight of AB00114432-01 is 415.05 g/mol.
Where can I buy AB00114432-01?
You can request a quote for AB00114432-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114432-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114432-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.