9H-008
TL;DR: 9H-008 (CAS 339106-08-0) is a chemical compound with molecular formula C12H11ClF3N3O3 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-oxopyrrolidine-3-carboxylate
Also Known As: 9H-008, Methyl 1-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)amino)-5-oxo-3-pyrrolidinecarboxylate, methyl 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-oxopyrrolidine-3-carboxylate, methyl 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-5-oxopyrrolidine-3-carboxylate, Methyl 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-oxo-pyrrolidine-3-carboxylate
| Molecular Formula | C12H11ClF3N3O3 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.1022 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0441 |
| Heavy Atoms | 22 |
| Complexity | 609.01465 |
Chemical Identifiers
| CAS Number | 339106-08-0 |
|---|---|
| SMILES | COC(=O)C1CC(=O)N(C1)NC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
9H-008 (CAS 339106-08-0), with molecular formula C12H11ClF3N3O3 and molecular weight 337.04 g/mol. IUPAC: methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 9H-008
Property Insights of 9H-008
The XLogP value of 2.1022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-008. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-008. Following Lipinski's Rule of Five, 9H-008 has 1 hydrogen bond donor(s) and 5 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 9H-008?
The CAS number of 9H-008 is 339106-08-0.
What is the molecular formula of 9H-008?
The molecular formula of 9H-008 is C12H11ClF3N3O3.
What is the molecular weight of 9H-008?
The molecular weight of 9H-008 is 337.04 g/mol.
Where can I buy 9H-008?
You can request a quote for 9H-008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-008?
Yes, KEHONG BIO provides custom synthesis services for 9H-008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.