3G-960
TL;DR: 3G-960 (CAS 338409-46-4) is a chemical compound with molecular formula C16H15ClF3N5O5 and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
Also Known As: 3G-960, ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate, ethyl N-[1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]carbamate, ethyl N-{[1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}carbamate, ethyl N-[1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2,4-dioxo-3H-pyrimidine-5-carbonyl]carbamate
| Molecular Formula | C16H15ClF3N5O5 |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 1.6022 |
| Topological Polar Surface Area | 135.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.07138 |
| Heavy Atoms | 30 |
| Complexity | 1066.4572 |
Chemical Identifiers
| CAS Number | 338409-46-4 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3G-960 (CAS 338409-46-4), with molecular formula C16H15ClF3N5O5 and molecular weight 449.07 g/mol. IUPAC: ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate.
Chemical Property Profile of 3G-960
Property Insights of 3G-960
The XLogP value of 1.6022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3G-960. The TPSA of 135.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-960. Following Lipinski's Rule of Five, 3G-960 has 3 hydrogen bond donor(s) and 7 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-960?
The CAS number of 3G-960 is 338409-46-4.
What is the molecular formula of 3G-960?
The molecular formula of 3G-960 is C16H15ClF3N5O5.
What is the molecular weight of 3G-960?
The molecular weight of 3G-960 is 449.07 g/mol.
Where can I buy 3G-960?
You can request a quote for 3G-960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-960?
Yes, KEHONG BIO provides custom synthesis services for 3G-960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.