6-苯基烟酸
TL;DR: 6-苯基烟酸 (CAS 29051-44-3) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-苯基烟酸
6-phenylpyridine-3-carboxylic acid
Also Known As: 6-Phenylnicotinic acid, 6-phenylpyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 6-phenyl-, 6-Phenyl-nicotinic acid, 4i8x
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 29051-44-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O |
| InChIKey | DLFLQXUYRFIFOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-苯基烟酸 (CAS 29051-44-3), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 6-phenylpyridine-3-carboxylic acid.
Chemical Property Profile of 6-苯基烟酸
Property Insights of 6-苯基烟酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-苯基烟酸. With a topological polar surface area (TPSA) of 50.2 Ų, 6-苯基烟酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-苯基烟酸 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 6-苯基烟酸?
The CAS number of 6-苯基烟酸 is 29051-44-3.
What is the molecular formula of 6-苯基烟酸?
The molecular formula of 6-苯基烟酸 is C12H9NO2.
What is the molecular weight of 6-苯基烟酸?
The molecular weight of 6-苯基烟酸 is 199.06 g/mol.
Where can I buy 6-苯基烟酸?
You can request a quote for 6-苯基烟酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-苯基烟酸?
Yes, KEHONG BIO provides custom synthesis services for 6-苯基烟酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.