BAS 00470199
TL;DR: BAS 00470199 (CAS 301320-18-3) is a chemical compound with molecular formula C18H18F3NO4S and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[ethyl(thiophene-2-carbonyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: BAS 00470199, ethyl 2-{4-[ethyl(thiophen-2-ylcarbonyl)amino]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-(4-(N-ethylthiophene-2-carboxamido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-[4-(N-ethyl-2-thienylcarbonylamino)phenyl]-3,3,3-trifluoro-2-hydroxypr opanoate, ETHYL 2-[4-(N-ETHYLTHIOPHENE-2-AMIDO)PHENYL]-3,3,3-TRIFLUORO-2-HYDROXYPROPANOATE
| Molecular Formula | C18H18F3NO4S |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.7278 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.09085 |
| Heavy Atoms | 27 |
| Complexity | 789.9381 |
Chemical Identifiers
| CAS Number | 301320-18-3 |
|---|---|
| SMILES | CCN(C1=CC=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C(=O)C2=CC=CS2 |
Product Overview
BAS 00470199 (CAS 301320-18-3), with molecular formula C18H18F3NO4S and molecular weight 401.09 g/mol. IUPAC: ethyl 2-[4-[ethyl(thiophene-2-carbonyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of BAS 00470199
Property Insights of BAS 00470199
The XLogP value of 3.7278 indicates that BAS 00470199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00470199. Following Lipinski's Rule of Five, BAS 00470199 has 1 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 BAS 00470199?
The CAS number of BAS 00470199 is 301320-18-3.
What is the molecular formula of BAS 00470199?
The molecular formula of BAS 00470199 is C18H18F3NO4S.
What is the molecular weight of BAS 00470199?
The molecular weight of BAS 00470199 is 401.09 g/mol.
Where can I buy BAS 00470199?
You can request a quote for BAS 00470199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00470199?
Yes, KEHONG BIO provides custom synthesis services for BAS 00470199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.