3G-970
TL;DR: 3G-970 (CAS 321570-95-0) is a chemical compound with molecular formula C13H11ClF3N5O3 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]carbamate
Also Known As: 3G-970, ethyl N-({5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}carbonyl)carbamate, ethyl N-[5-amino-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbonyl]carbamate, ethyl N-{5-amino-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carbonyl}carbamate
| Molecular Formula | C13H11ClF3N5O3 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 2.408 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.05026 |
| Heavy Atoms | 25 |
| Complexity | 821.7263 |
Chemical Identifiers
| CAS Number | 321570-95-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=C(N(N=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)N |
Product Overview
3G-970 (CAS 321570-95-0), with molecular formula C13H11ClF3N5O3 and molecular weight 377.05 g/mol. IUPAC: ethyl N-[5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]carbamate.
Chemical Property Profile of 3G-970
Property Insights of 3G-970
The XLogP value of 2.408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3G-970. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-970. Following Lipinski's Rule of Five, 3G-970 has 2 hydrogen bond donor(s) and 6 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-970?
The CAS number of 3G-970 is 321570-95-0.
What is the molecular formula of 3G-970?
The molecular formula of 3G-970 is C13H11ClF3N5O3.
What is the molecular weight of 3G-970?
The molecular weight of 3G-970 is 377.05 g/mol.
Where can I buy 3G-970?
You can request a quote for 3G-970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-970?
Yes, KEHONG BIO provides custom synthesis services for 3G-970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.