BAS 01055586
TL;DR: BAS 01055586 (CAS 301175-99-5) is a chemical compound with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Also Known As: BAS 01055586, (E)-N-(5-(4-methoxybenzyl)thiazol-2-yl)-3-(3-(trifluoromethyl)phenyl)acrylamide, N-[5-(4-Methoxy-benzyl)-thiazol-2-yl]-3-(3-trifluoromethyl-phenyl)-acrylamide, (2E)-N-[5-(4-methoxybenzyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide, (2E)-N-{5-[(4-methoxyphenyl)methyl](1,3-thiazol-2-yl)}-3-[3-(trifluoromethyl)p henyl]prop-2-enamide
| Molecular Formula | C21H17F3N2O2S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 5.4132 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.09628 |
| Heavy Atoms | 29 |
| Complexity | 1011.26575 |
Chemical Identifiers
| CAS Number | 301175-99-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F |
Product Overview
BAS 01055586 (CAS 301175-99-5), with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol. IUPAC: (E)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
Chemical Property Profile of BAS 01055586
Property Insights of BAS 01055586
The XLogP value of 5.4132 indicates that BAS 01055586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, BAS 01055586 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01055586 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01055586?
The CAS number of BAS 01055586 is 301175-99-5.
What is the molecular formula of BAS 01055586?
The molecular formula of BAS 01055586 is C21H17F3N2O2S.
What is the molecular weight of BAS 01055586?
The molecular weight of BAS 01055586 is 418.10 g/mol.
Where can I buy BAS 01055586?
You can request a quote for BAS 01055586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01055586?
Yes, KEHONG BIO provides custom synthesis services for BAS 01055586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.