![(S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate structure](/static/products/844/844650-94-8.png)
(S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate
TL;DR: (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate (CAS 844650-94-8) is a chemical compound with molecular formula C17H15F3N4O2S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate
Also Known As: (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate, methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate, methyl N-1,3-benzothiazol-2(3H)-ylidene-3,3,3-trifluoro-2-(2-phenylhydrazinyl)alaninate, methyl N-1,3-benzothiazol-2-yl-3,3,3-trifluoro-2-(2-phenylhydrazinyl)alaninate, METHYL 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-3,3,3-TRIFLUORO-2-(2-PHENYLHYDRAZIN-1-YL)PROPANOATE
| Molecular Formula | C17H15F3N4O2S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 3.7565 |
| Topological Polar Surface Area | 75.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0868 |
| Heavy Atoms | 27 |
| Complexity | 899.5781 |
Chemical Identifiers
| CAS Number | 844650-94-8 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NNC3=CC=CC=C3 |
Product Overview
(S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate (CAS 844650-94-8), with molecular formula C17H15F3N4O2S and molecular weight 396.09 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate.
Chemical Property Profile of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate
Property Insights of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate
The XLogP value of 3.7565 indicates that (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate has 3 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 (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate?
The CAS number of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate is 844650-94-8.
What is the molecular formula of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate?
The molecular formula of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate is C17H15F3N4O2S.
What is the molecular weight of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate?
The molecular weight of (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate is 396.09 g/mol.
Where can I buy (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate?
You can request a quote for (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(2-phenylhydrazinyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.