AB00114904-01
TL;DR: AB00114904-01 (CAS 380155-63-5) is a chemical compound with molecular formula C24H21N3O4S2 and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: AB00114904-01, (Z)-2-(4-oxo-5-((1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-3-yl)acetic acid, [(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C24H21N3O4S2 |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 4.6139 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.09735 |
| Heavy Atoms | 33 |
| Complexity | 1220.2661 |
Chemical Identifiers
| CAS Number | 380155-63-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4 |
Product Overview
AB00114904-01 (CAS 380155-63-5), with molecular formula C24H21N3O4S2 and molecular weight 479.10 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of AB00114904-01
Property Insights of AB00114904-01
The XLogP value of 4.6139 indicates that AB00114904-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114904-01. Following Lipinski's Rule of Five, AB00114904-01 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 AB00114904-01?
The CAS number of AB00114904-01 is 380155-63-5.
What is the molecular formula of AB00114904-01?
The molecular formula of AB00114904-01 is C24H21N3O4S2.
What is the molecular weight of AB00114904-01?
The molecular weight of AB00114904-01 is 479.10 g/mol.
Where can I buy AB00114904-01?
You can request a quote for AB00114904-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114904-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114904-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.