![methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate structure](/static/products/487/487032-29-1.png)
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
TL;DR: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate (CAS 487032-29-1) is a chemical compound with molecular formula C18H11Cl3F3N3O3S and molecular weight 510.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate, (S)-methyl 2-((6-chlorobenzo[d]thiazol-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate, methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
| Molecular Formula | C18H11Cl3F3N3O3S |
|---|---|
| Molecular Weight | 510.95 g/mol |
| LogP | 5.53 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.9539 |
| Heavy Atoms | 31 |
| Complexity | 1172.138 |
Chemical Identifiers
| CAS Number | 487032-29-1 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=NC2=C(S1)C=C(C=C2)Cl)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate (CAS 487032-29-1), with molecular formula C18H11Cl3F3N3O3S and molecular weight 510.95 g/mol. IUPAC: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Property Insights of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
The XLogP value of 5.53 indicates that methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate 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 methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The CAS number of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate is 487032-29-1.
What is the molecular formula of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The molecular formula of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate is C18H11Cl3F3N3O3S.
What is the molecular weight of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
The molecular weight of methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate is 510.95 g/mol.
Where can I buy methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
You can request a quote for methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.