3G-949
TL;DR: 3G-949 (CAS 338409-27-1) is a chemical compound with molecular formula C19H21ClF3N3O2 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]methanol
Also Known As: 3G-949, [3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethoxy)phenyl]methanol, [3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methanol, [3-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethoxy)phenyl]methanol
| Molecular Formula | C19H21ClF3N3O2 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 3.4471 |
| Topological Polar Surface Area | 48.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12744 |
| Heavy Atoms | 28 |
| Complexity | 796.2336 |
Chemical Identifiers
| CAS Number | 338409-27-1 |
|---|---|
| SMILES | C1CN(CCN1CCOC2=CC=CC(=C2)CO)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3G-949 (CAS 338409-27-1), with molecular formula C19H21ClF3N3O2 and molecular weight 415.13 g/mol. IUPAC: [3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]methanol.
Chemical Property Profile of 3G-949
Property Insights of 3G-949
The XLogP value of 3.4471 indicates that 3G-949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.83 Ų, 3G-949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3G-949 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 3G-949?
The CAS number of 3G-949 is 338409-27-1.
What is the molecular formula of 3G-949?
The molecular formula of 3G-949 is C19H21ClF3N3O2.
What is the molecular weight of 3G-949?
The molecular weight of 3G-949 is 415.13 g/mol.
Where can I buy 3G-949?
You can request a quote for 3G-949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-949?
Yes, KEHONG BIO provides custom synthesis services for 3G-949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.