A3025/0127564
TL;DR: A3025/0127564 (CAS 489399-94-2) is a chemical compound with molecular formula C22H20Cl2F3N3O4S and molecular weight 549.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: A3025/0127564, methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate, (S)-methyl 2-((6-butoxybenzo[d]thiazol-2-yl)amino)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoropropanoate, methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoroalaninate
| Molecular Formula | C22H20Cl2F3N3O4S |
|---|---|
| Molecular Weight | 549.05 g/mol |
| LogP | 6.0555 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.05035 |
| Heavy Atoms | 35 |
| Complexity | 1238.3666 |
Chemical Identifiers
| CAS Number | 489399-94-2 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
A3025/0127564 (CAS 489399-94-2), with molecular formula C22H20Cl2F3N3O4S and molecular weight 549.05 g/mol. IUPAC: methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of A3025/0127564
Property Insights of A3025/0127564
The XLogP value of 6.0555 indicates that A3025/0127564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for A3025/0127564. Following Lipinski's Rule of Five, A3025/0127564 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3025/0127564?
The CAS number of A3025/0127564 is 489399-94-2.
What is the molecular formula of A3025/0127564?
The molecular formula of A3025/0127564 is C22H20Cl2F3N3O4S.
What is the molecular weight of A3025/0127564?
The molecular weight of A3025/0127564 is 549.05 g/mol.
Where can I buy A3025/0127564?
You can request a quote for A3025/0127564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3025/0127564?
Yes, KEHONG BIO provides custom synthesis services for A3025/0127564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.