AB00105421-01
TL;DR: AB00105421-01 (CAS 6338-53-0) is a chemical compound with molecular formula C16H11NO4S2 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AB00105421-01, 3-methyl-4-{5-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}benzoic acid, 3-methyl-4-[5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic Acid, 3-methyl-4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid, 3-METHYL-4-{5-[(4-OXO-2-THIOXO-1,3-THIAZOLAN-5-YLIDEN)METHYL]-2-FURYL}BENZOIC ACID
| Molecular Formula | C16H11NO4S2 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 3.44202 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.01294 |
| Heavy Atoms | 23 |
| Complexity | 866.7152 |
Chemical Identifiers
| CAS Number | 6338-53-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)S3 |
Product Overview
AB00105421-01 (CAS 6338-53-0), with molecular formula C16H11NO4S2 and molecular weight 345.01 g/mol. IUPAC: 3-methyl-4-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AB00105421-01
Property Insights of AB00105421-01
The XLogP value of 3.44202 indicates that AB00105421-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105421-01. Following Lipinski's Rule of Five, AB00105421-01 has 2 hydrogen bond donor(s) and 5 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 AB00105421-01?
The CAS number of AB00105421-01 is 6338-53-0.
What is the molecular formula of AB00105421-01?
The molecular formula of AB00105421-01 is C16H11NO4S2.
What is the molecular weight of AB00105421-01?
The molecular weight of AB00105421-01 is 345.01 g/mol.
Where can I buy AB00105421-01?
You can request a quote for AB00105421-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105421-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105421-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.