![4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid structure](/static/products/4406/440646-94-6.webp)
4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid
TL;DR: 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid (CAS 440646-94-6) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(pyridin-3-ylmethylamino)methyl]benzoic acid
Also Known As: 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid, 4-(((pyridin-3-ylmethyl)amino)methyl)benzoic acid, 4-[(pyridin-3-ylmethylamino)methyl]benzoic Acid, 4-[(3-pyridylmethylamino)methyl]benzoic acid, 4-(((pyridin-3-ylmethyl)amino)methyl)benzoicacid
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.0696 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 509.07703 |
Chemical Identifiers
| CAS Number | 440646-94-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid (CAS 440646-94-6), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 4-[(pyridin-3-ylmethylamino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid
Property Insights of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid
The XLogP value of 2.0696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid 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 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid is 440646-94-6.
What is the molecular formula of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid is C14H14N2O2.
What is the molecular weight of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid is 242.11 g/mol.
Where can I buy 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Pyridin-3-ylmethyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.