Compound 1549
TL;DR: Compound 1549 (CAS 742693-38-5) is a chemical compound with molecular formula C20H21Cl2F3N2O and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide;hydrochloride
Also Known As: Compound 1549, SSR 504734 hydrochloride, SSR504734 HCl, 2-Chloro-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide;hydrochloride, 2-chloro-3-(trifluoromethyl)-N-((S)-phenyl((S)-piperidin-2-yl)methyl)benzamide hydrochloride
| Molecular Formula | C20H21Cl2F3N2O |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 5.3938 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0983 |
| Heavy Atoms | 28 |
| Complexity | 793.78296 |
Chemical Identifiers
| CAS Number | 742693-38-5 |
|---|---|
| SMILES | C1CCN[C@@H](C1)[C@H](C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl.Cl |
Product Overview
Compound 1549 (CAS 742693-38-5), with molecular formula C20H21Cl2F3N2O and molecular weight 432.10 g/mol. IUPAC: 2-chloro-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide;hydrochloride.
Chemical Property Profile of Compound 1549
Property Insights of Compound 1549
The XLogP value of 5.3938 indicates that Compound 1549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, Compound 1549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound 1549 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound 1549?
The CAS number of Compound 1549 is 742693-38-5.
What is the molecular formula of Compound 1549?
The molecular formula of Compound 1549 is C20H21Cl2F3N2O.
What is the molecular weight of Compound 1549?
The molecular weight of Compound 1549 is 432.10 g/mol.
Where can I buy Compound 1549?
You can request a quote for Compound 1549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 1549?
Yes, KEHONG BIO provides custom synthesis services for Compound 1549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.