![4-{[(2-Thienylmethyl)amino]methyl}benzoic acid structure](/static/products/7752/775293-37-3.webp)
4-{[(2-Thienylmethyl)amino]methyl}benzoic acid
TL;DR: 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid (CAS 775293-37-3) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(thiophen-2-ylmethylamino)methyl]benzoic acid
Also Known As: 4-{[(2-thienylmethyl)amino]methyl}benzoic acid, 4-[(thiophen-2-ylmethylamino)methyl]benzoic Acid, 4-{[(thiophen-2-ylmethyl)amino]methyl}benzoic acid, 4-[(2-thienylmethylamino)methyl]benzoic acid, Y-2317
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.7361 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 476.6304 |
Chemical Identifiers
| CAS Number | 775293-37-3 |
|---|---|
| SMILES | C1=CSC(=C1)CNCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(2-Thienylmethyl)amino]methyl}benzoic acid (CAS 775293-37-3), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 4-[(thiophen-2-ylmethylamino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid
Property Insights of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid
The XLogP value of 2.7361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(2-Thienylmethyl)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-{[(2-Thienylmethyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid is 775293-37-3.
What is the molecular formula of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid is C13H13NO2S.
What is the molecular weight of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid is 247.07 g/mol.
Where can I buy 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(2-Thienylmethyl)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-{[(2-Thienylmethyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2-Thienylmethyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.