3G-985
TL;DR: 3G-985 (CAS 338406-48-7) is a chemical compound with molecular formula C17H17Cl2F3N4S and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-methylthiourea
Also Known As: 3G-985, N-(4-chlorobenzyl)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-N'-methylthiourea, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1-[(4-chlorophenyl)methyl]-3-methylthiourea, 1-[(4-chlorophenyl)methyl]-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-methylthiourea
| Molecular Formula | C17H17Cl2F3N4S |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 4.8256 |
| Topological Polar Surface Area | 40.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.0503 |
| Heavy Atoms | 27 |
| Complexity | 784.7383 |
Chemical Identifiers
| CAS Number | 338406-48-7 |
|---|---|
| SMILES | CNC(=S)N(CCNC1=C(C=C(C=N1)C(F)(F)F)Cl)CC2=CC=C(C=C2)Cl |
Product Overview
3G-985 (CAS 338406-48-7), with molecular formula C17H17Cl2F3N4S and molecular weight 436.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-methylthiourea.
Chemical Property Profile of 3G-985
Property Insights of 3G-985
The XLogP value of 4.8256 indicates that 3G-985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.19 Ų, 3G-985 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3G-985 has 2 hydrogen bond donor(s) and 3 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-985?
The CAS number of 3G-985 is 338406-48-7.
What is the molecular formula of 3G-985?
The molecular formula of 3G-985 is C17H17Cl2F3N4S.
What is the molecular weight of 3G-985?
The molecular weight of 3G-985 is 436.05 g/mol.
Where can I buy 3G-985?
You can request a quote for 3G-985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-985?
Yes, KEHONG BIO provides custom synthesis services for 3G-985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.