3G-966
TL;DR: 3G-966 (CAS 338406-17-0) is a chemical compound with molecular formula C24H24Cl2F3N5O and molecular weight 525.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-[[4-(dimethylamino)phenyl]methyl]urea
Also Known As: 3G-966, N'-(4-chlorophenyl)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-N-[4-(dimethylamino)benzyl]urea, 3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1-(4-chlorophenyl)-3-{[4-(dimethylamino)phenyl]methyl}urea, 3-(4-chlorophenyl)-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-[[4-(dimethylamino)phenyl]methyl]urea, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(4-chlorophenyl)-1-{[4-(dimethylamino)phenyl]methyl}urea
| Molecular Formula | C24H24Cl2F3N5O |
|---|---|
| Molecular Weight | 525.13 g/mol |
| LogP | 6.6194 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.131 |
| Heavy Atoms | 35 |
| Complexity | 1139.3917 |
Chemical Identifiers
| CAS Number | 338406-17-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CN(CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
3G-966 (CAS 338406-17-0), with molecular formula C24H24Cl2F3N5O and molecular weight 525.13 g/mol. IUPAC: 3-(4-chlorophenyl)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-[[4-(dimethylamino)phenyl]methyl]urea.
Chemical Property Profile of 3G-966
Property Insights of 3G-966
The XLogP value of 6.6194 indicates that 3G-966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-966. Following Lipinski's Rule of Five, 3G-966 has 2 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-966?
The CAS number of 3G-966 is 338406-17-0.
What is the molecular formula of 3G-966?
The molecular formula of 3G-966 is C24H24Cl2F3N5O.
What is the molecular weight of 3G-966?
The molecular weight of 3G-966 is 525.13 g/mol.
Where can I buy 3G-966?
You can request a quote for 3G-966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-966?
Yes, KEHONG BIO provides custom synthesis services for 3G-966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.