AB00117632-01
TL;DR: AB00117632-01 (CAS 432010-21-4) is a chemical compound with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: AB00117632-01, methyl 4-[(Z)-(3-{2-[(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate, (Z)-methyl 4-((2,4-dioxo-3-(2-oxo-2-(m-tolylamino)ethyl)thiazolidin-5-ylidene)methyl)benzoate, methyl 4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
| Molecular Formula | C21H18N2O5S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.45662 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.09363 |
| Heavy Atoms | 29 |
| Complexity | 1013.98645 |
Chemical Identifiers
| CAS Number | 432010-21-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/SC2=O |
Product Overview
AB00117632-01 (CAS 432010-21-4), with molecular formula C21H18N2O5S and molecular weight 410.09 g/mol. IUPAC: methyl 4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of AB00117632-01
Property Insights of AB00117632-01
The XLogP value of 3.45662 indicates that AB00117632-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117632-01. Following Lipinski's Rule of Five, AB00117632-01 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 AB00117632-01?
The CAS number of AB00117632-01 is 432010-21-4.
What is the molecular formula of AB00117632-01?
The molecular formula of AB00117632-01 is C21H18N2O5S.
What is the molecular weight of AB00117632-01?
The molecular weight of AB00117632-01 is 410.09 g/mol.
Where can I buy AB00117632-01?
You can request a quote for AB00117632-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117632-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117632-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.