starbld0008630
TL;DR: starbld0008630 (CAS 339029-59-3) is a chemical compound with molecular formula C12H5ClF3N3O and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: starbld0008630, 3-chloro-6'-oxo-5-(trifluoromethyl)-1',6'-dihydro-[2,3'-bipyridine]-5'-carbonitrile, 8G-012, 3-chloro-6'-hydroxy-5-(trifluoromethyl)-[2,3'-bipyridine]-5'-carbonitrile, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxo-1H-pyridine-3-carbonitrile
| Molecular Formula | C12H5ClF3N3O |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 2.98078 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.00732 |
| Heavy Atoms | 20 |
| Complexity | 761.7636 |
Chemical Identifiers
| CAS Number | 339029-59-3 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)C2=CNC(=O)C(=C2)C#N)C(F)(F)F |
Product Overview
starbld0008630 (CAS 339029-59-3), with molecular formula C12H5ClF3N3O and molecular weight 299.01 g/mol. IUPAC: 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of starbld0008630
Property Insights of starbld0008630
The XLogP value of 2.98078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0008630. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0008630. Following Lipinski's Rule of Five, starbld0008630 has 1 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 starbld0008630?
The CAS number of starbld0008630 is 339029-59-3.
What is the molecular formula of starbld0008630?
The molecular formula of starbld0008630 is C12H5ClF3N3O.
What is the molecular weight of starbld0008630?
The molecular weight of starbld0008630 is 299.01 g/mol.
Where can I buy starbld0008630?
You can request a quote for starbld0008630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0008630?
Yes, KEHONG BIO provides custom synthesis services for starbld0008630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.