AB00097789-01
TL;DR: AB00097789-01 (CAS 314746-57-1) is a chemical compound with molecular formula C19H13BrN2O4S2 and molecular weight 475.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[(2-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: AB00097789-01, (Z)-methyl 4-((3-(2-bromobenzamido)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[3-[(2-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-({3-[(2-bromobenzoyl)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)benzoate, methyl 4-({3-[(2-bromophenyl)carbonylamino]-4-oxo-2-thioxo-1,3-thiazolidin-5-y lidene}methyl)benzoate
| Molecular Formula | C19H13BrN2O4S2 |
|---|---|
| Molecular Weight | 475.95 g/mol |
| LogP | 3.7819 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.95 |
| Heavy Atoms | 28 |
| Complexity | 1005.24817 |
Chemical Identifiers
| CAS Number | 314746-57-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Br |
Product Overview
AB00097789-01 (CAS 314746-57-1), with molecular formula C19H13BrN2O4S2 and molecular weight 475.95 g/mol. IUPAC: methyl 4-[(Z)-[3-[(2-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of AB00097789-01
Property Insights of AB00097789-01
The XLogP value of 3.7819 indicates that AB00097789-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097789-01. Following Lipinski's Rule of Five, AB00097789-01 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 AB00097789-01?
The CAS number of AB00097789-01 is 314746-57-1.
What is the molecular formula of AB00097789-01?
The molecular formula of AB00097789-01 is C19H13BrN2O4S2.
What is the molecular weight of AB00097789-01?
The molecular weight of AB00097789-01 is 475.95 g/mol.
Where can I buy AB00097789-01?
You can request a quote for AB00097789-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097789-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097789-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.