C20H20F3NOS.ClH
TL;DR: C20H20F3NOS.ClH (CAS 41951-10-4) is a chemical compound with molecular formula C20H21ClF3NOS and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-yl-1-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethanol;hydrochloride
Also Known As: alpha-(8-(Trifluoromethyl)naphtho(2,1-b)thien-4-yl)-1-piperidineethanol hydrochloride, 1-Piperidineethanol, alpha-(8-(trifluoromethyl)naphtho(2,1-b)thien-4-yl)-, hydrochloride, 2-(piperidin-1-yl)-1-[8-(trifluoromethyl)naphtho[2,1-b]thiophen-4-yl]ethanol hydrochloride(1:1), 2-piperidin-1-yl-1-[8-(trifluoromethyl)benzo[e][1]benzothiol, 2-piperidin-1-yl-1-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethanol hydrochloride
| Molecular Formula | C20H21ClF3NOS |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 6.0144 |
| Topological Polar Surface Area | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.09845 |
| Heavy Atoms | 27 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 41951-10-4 |
|---|---|
| SMILES | C1CCN(CC1)CC(C2=C3C(=C4C=C(C=CC4=C2)C(F)(F)F)C=CS3)O.Cl |
| InChIKey | HWKRYGFURGZEIK-UHFFFAOYSA-N |
Product Overview
C20H20F3NOS.ClH (CAS 41951-10-4), with molecular formula C20H21ClF3NOS and molecular weight 415.10 g/mol. IUPAC: 2-piperidin-1-yl-1-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethanol;hydrochloride.
Chemical Property Profile of C20H20F3NOS.ClH
Property Insights of C20H20F3NOS.ClH
The XLogP value of 6.0144 indicates that C20H20F3NOS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.7 Ų, C20H20F3NOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H20F3NOS.ClH has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H20F3NOS.ClH?
The CAS number of C20H20F3NOS.ClH is 41951-10-4.
What is the molecular formula of C20H20F3NOS.ClH?
The molecular formula of C20H20F3NOS.ClH is C20H21ClF3NOS.
What is the molecular weight of C20H20F3NOS.ClH?
The molecular weight of C20H20F3NOS.ClH is 415.10 g/mol.
Where can I buy C20H20F3NOS.ClH?
You can request a quote for C20H20F3NOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20F3NOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C20H20F3NOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.