AB00115241-01
TL;DR: AB00115241-01 (CAS 431883-75-9) is a chemical compound with molecular formula C15H13Cl2N3O3S2 and molecular weight 416.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
Also Known As: AB00115241-01, AF-399/41049343, ethyl 2-(2-(3-(2,4-dichlorobenzoyl)thioureido)thiazol-4-yl)acetate, ethyl [2-({[(2,4-dichlorobenzoyl)amino]carbothioyl}amino)-1,3-thiazol-4-yl]acetate, ethyl [2-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-1,3-thiazol-4-yl]acetate
| Molecular Formula | C15H13Cl2N3O3S2 |
|---|---|
| Molecular Weight | 416.98 g/mol |
| LogP | 3.6823 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.97754 |
| Heavy Atoms | 25 |
| Complexity | 811.06934 |
Chemical Identifiers
| CAS Number | 431883-75-9 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
AB00115241-01 (CAS 431883-75-9), with molecular formula C15H13Cl2N3O3S2 and molecular weight 416.98 g/mol. IUPAC: ethyl 2-[2-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of AB00115241-01
Property Insights of AB00115241-01
The XLogP value of 3.6823 indicates that AB00115241-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115241-01. Following Lipinski's Rule of Five, AB00115241-01 has 2 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 AB00115241-01?
The CAS number of AB00115241-01 is 431883-75-9.
What is the molecular formula of AB00115241-01?
The molecular formula of AB00115241-01 is C15H13Cl2N3O3S2.
What is the molecular weight of AB00115241-01?
The molecular weight of AB00115241-01 is 416.98 g/mol.
Where can I buy AB00115241-01?
You can request a quote for AB00115241-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115241-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115241-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.