3G-954
TL;DR: 3G-954 (CAS 338409-38-4) is a chemical compound with molecular formula C14H12Cl2F3N3O2S and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
Also Known As: 3G-954, 2-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)benzenesulfonamide, 2-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)benzene-1-sulfonamide, 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide, 2-Chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
| Molecular Formula | C14H12Cl2F3N3O2S |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 3.7976 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.99792 |
| Heavy Atoms | 25 |
| Complexity | 860.64075 |
Chemical Identifiers
| CAS Number | 338409-38-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
Product Overview
3G-954 (CAS 338409-38-4), with molecular formula C14H12Cl2F3N3O2S and molecular weight 413.00 g/mol. IUPAC: 2-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.
Chemical Property Profile of 3G-954
Property Insights of 3G-954
The XLogP value of 3.7976 indicates that 3G-954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-954. Following Lipinski's Rule of Five, 3G-954 has 2 hydrogen bond donor(s) and 4 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-954?
The CAS number of 3G-954 is 338409-38-4.
What is the molecular formula of 3G-954?
The molecular formula of 3G-954 is C14H12Cl2F3N3O2S.
What is the molecular weight of 3G-954?
The molecular weight of 3G-954 is 413.00 g/mol.
Where can I buy 3G-954?
You can request a quote for 3G-954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-954?
Yes, KEHONG BIO provides custom synthesis services for 3G-954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.