苯吡啶羧酸
TL;DR: 苯吡啶羧酸 (CAS 56153-37-8) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯吡啶羧酸
5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
Also Known As: Phenopicolinic acid, Phenopicolinate, 5-(4-Hydroxybenzyl)picolinic acid, 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid, 5-(4-hydroxybenzyl)-picolinic acid
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.0762 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 517.3658 |
Chemical Identifiers
| CAS Number | 56153-37-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CN=C(C=C2)C(=O)O)O |
Product Overview
苯吡啶羧酸 (CAS 56153-37-8), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid.
Chemical Property Profile of 苯吡啶羧酸
Property Insights of 苯吡啶羧酸
The XLogP value of 2.0762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯吡啶羧酸. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯吡啶羧酸. Following Lipinski's Rule of Five, 苯吡啶羧酸 has 2 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 苯吡啶羧酸?
The CAS number of 苯吡啶羧酸 is 56153-37-8.
What is the molecular formula of 苯吡啶羧酸?
The molecular formula of 苯吡啶羧酸 is C13H11NO3.
What is the molecular weight of 苯吡啶羧酸?
The molecular weight of 苯吡啶羧酸 is 229.07 g/mol.
Where can I buy 苯吡啶羧酸?
You can request a quote for 苯吡啶羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯吡啶羧酸?
Yes, KEHONG BIO provides custom synthesis services for 苯吡啶羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.