3G-959
TL;DR: 3G-959 (CAS 338409-44-2) is a chemical compound with molecular formula C18H15Cl2F6N5O and molecular weight 501.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
Also Known As: 3G-959, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetamide, N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide, N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetamide
| Molecular Formula | C18H15Cl2F6N5O |
|---|---|
| Molecular Weight | 501.06 g/mol |
| LogP | 4.5817 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.0558 |
| Heavy Atoms | 32 |
| Complexity | 992.80115 |
Chemical Identifiers
| CAS Number | 338409-44-2 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3G-959 (CAS 338409-44-2), with molecular formula C18H15Cl2F6N5O and molecular weight 501.06 g/mol. IUPAC: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
Chemical Property Profile of 3G-959
Property Insights of 3G-959
The XLogP value of 4.5817 indicates that 3G-959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-959. Following Lipinski's Rule of Five, 3G-959 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3G-959?
The CAS number of 3G-959 is 338409-44-2.
What is the molecular formula of 3G-959?
The molecular formula of 3G-959 is C18H15Cl2F6N5O.
What is the molecular weight of 3G-959?
The molecular weight of 3G-959 is 501.06 g/mol.
Where can I buy 3G-959?
You can request a quote for 3G-959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-959?
Yes, KEHONG BIO provides custom synthesis services for 3G-959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.