3G-981
TL;DR: 3G-981 (CAS 338406-40-9) is a chemical compound with molecular formula C21H17Cl3F3N3O2S and molecular weight 537.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
Also Known As: 3G-981, 4-chloro-N-(4-chlorobenzyl)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)benzenesulfonamide, 4-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-N-[(4-chlorophenyl)methyl]benzene-1-sulfonamide, 4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide, 4-chloro-N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-N-[(4-chlorophenyl)methyl]benzenesulfonamide
| Molecular Formula | C21H17Cl3F3N3O2S |
|---|---|
| Molecular Weight | 537.01 g/mol |
| LogP | 6.3636 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.0059 |
| Heavy Atoms | 33 |
| Complexity | 1206.1648 |
Chemical Identifiers
| CAS Number | 338406-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl |
Product Overview
3G-981 (CAS 338406-40-9), with molecular formula C21H17Cl3F3N3O2S and molecular weight 537.01 g/mol. IUPAC: 4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.
Chemical Property Profile of 3G-981
Property Insights of 3G-981
The XLogP value of 6.3636 indicates that 3G-981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-981. Following Lipinski's Rule of Five, 3G-981 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3G-981?
The CAS number of 3G-981 is 338406-40-9.
What is the molecular formula of 3G-981?
The molecular formula of 3G-981 is C21H17Cl3F3N3O2S.
What is the molecular weight of 3G-981?
The molecular weight of 3G-981 is 537.01 g/mol.
Where can I buy 3G-981?
You can request a quote for 3G-981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-981?
Yes, KEHONG BIO provides custom synthesis services for 3G-981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.