AB00685479-01
TL;DR: AB00685479-01 (CAS 681813-83-2) is a chemical compound with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[4-(2-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: AB00685479-01, F1063-0419, METHYL 4-{[(5Z)-3-{3-[(2-HYDROXYPHENYL)CARBAMOYL]PROPYL}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE, (Z)-methyl 4-((3-(4-((2-hydroxyphenyl)amino)-4-oxobutyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[3-[4-(2-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
| Molecular Formula | C22H20N2O5S2 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 3.7989 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.08136 |
| Heavy Atoms | 31 |
| Complexity | 1050.1217 |
Chemical Identifiers
| CAS Number | 681813-83-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3O |
Product Overview
AB00685479-01 (CAS 681813-83-2), with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol. IUPAC: methyl 4-[(Z)-[3-[4-(2-hydroxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of AB00685479-01
Property Insights of AB00685479-01
The XLogP value of 3.7989 indicates that AB00685479-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685479-01. Following Lipinski's Rule of Five, AB00685479-01 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 AB00685479-01?
The CAS number of AB00685479-01 is 681813-83-2.
What is the molecular formula of AB00685479-01?
The molecular formula of AB00685479-01 is C22H20N2O5S2.
What is the molecular weight of AB00685479-01?
The molecular weight of AB00685479-01 is 456.08 g/mol.
Where can I buy AB00685479-01?
You can request a quote for AB00685479-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685479-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685479-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.