![ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate structure](/static/products/1700/170030-01-0.webp)
ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
TL;DR: ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate (CAS 170030-01-0) is a chemical compound with molecular formula C13H11F6N3O2S and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, ethyl (2-(benzo[d]thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate, ethyl [2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, ethyl 1-(1,3-benzothiazol-2-ylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
| Molecular Formula | C13H11F6N3O2S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 4.2752 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0476 |
| Heavy Atoms | 25 |
| Complexity | 711.03766 |
Chemical Identifiers
| CAS Number | 170030-01-0 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC2=CC=CC=C2S1 |
Product Overview
ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate (CAS 170030-01-0), with molecular formula C13H11F6N3O2S and molecular weight 387.05 g/mol. IUPAC: ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Property Insights of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
The XLogP value of 4.2752 indicates that ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate. Following Lipinski's Rule of Five, ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate has 2 hydrogen bond donor(s) and 5 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 ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The CAS number of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is 170030-01-0.
What is the molecular formula of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The molecular formula of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is C13H11F6N3O2S.
What is the molecular weight of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The molecular weight of ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is 387.05 g/mol.
Where can I buy ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
You can request a quote for ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.