4-(Benzyloxy)nicotinic acid
TL;DR: 4-(Benzyloxy)nicotinic acid (CAS 55055-30-6) 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.
4-phenylmethoxypyridine-3-carboxylic acid
Also Known As: 4-(Benzyloxy)nicotinic acid, 4-benzyloxynicotinic acid, 4-(Benzyloxy)nicotinicacid, 4-phenylmethoxypyridine-3-carboxylic Acid, 4-(benzyloxy)pyridine-3-carboxylic acid
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.3588 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 511.08286 |
Chemical Identifiers
| CAS Number | 55055-30-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=NC=C2)C(=O)O |
Product Overview
4-(Benzyloxy)nicotinic acid (CAS 55055-30-6), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 4-phenylmethoxypyridine-3-carboxylic acid.
Chemical Property Profile of 4-(Benzyloxy)nicotinic acid
Property Insights of 4-(Benzyloxy)nicotinic acid
The XLogP value of 2.3588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzyloxy)nicotinic acid. With a topological polar surface area (TPSA) of 59.42 Ų, 4-(Benzyloxy)nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)nicotinic acid 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 4-(Benzyloxy)nicotinic acid?
The CAS number of 4-(Benzyloxy)nicotinic acid is 55055-30-6.
What is the molecular formula of 4-(Benzyloxy)nicotinic acid?
The molecular formula of 4-(Benzyloxy)nicotinic acid is C13H11NO3.
What is the molecular weight of 4-(Benzyloxy)nicotinic acid?
The molecular weight of 4-(Benzyloxy)nicotinic acid is 229.07 g/mol.
Where can I buy 4-(Benzyloxy)nicotinic acid?
You can request a quote for 4-(Benzyloxy)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.