![3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid structure](/static/products/7276/727673-75-8.webp)
3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid
TL;DR: 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid (CAS 727673-75-8) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(ethoxycarbonylamino)methyl]-4-hydroxybenzoic acid
Also Known As: 3-{[(ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid, 3-[(ethoxycarbonylamino)methyl]-4-hydroxybenzoic acid, 3-([(Ethoxycarbonyl)amino]methyl)-4-hydroxybenzoic acid, 3-(((Ethoxycarbonyl)amino)methyl)-4-hydroxybenzoic acid, AO-080/43378155
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.3365 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 429.87 |
Chemical Identifiers
| CAS Number | 727673-75-8 |
|---|---|
| SMILES | CCOC(=O)NCC1=C(C=CC(=C1)C(=O)O)O |
Product Overview
3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid (CAS 727673-75-8), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 3-[(ethoxycarbonylamino)methyl]-4-hydroxybenzoic acid.
Chemical Property Profile of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid
Property Insights of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid
The XLogP value of 1.3365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid. Following Lipinski's Rule of Five, 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid has 3 hydrogen bond donor(s) and 4 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 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid?
The CAS number of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid is 727673-75-8.
What is the molecular formula of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid?
The molecular formula of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid is C11H13NO5.
What is the molecular weight of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid?
The molecular weight of 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid is 239.08 g/mol.
Where can I buy 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid?
You can request a quote for 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Ethoxycarbonyl)amino]methyl}-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.