![4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride structure](/static/products/1049/1049696-49-2.webp)
4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride
TL;DR: 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride (CAS 1049696-49-2) is a chemical compound with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(thiophen-3-ylmethylamino)methyl]benzoic acid;hydrochloride
Also Known As: 4-{[(3-THIENYLMETHYL)AMINO]METHYL}BENZOIC ACID HYDROCHLORIDE, 4-(((Thiophen-3-ylmethyl)amino)methyl)benzoic acid hydrochloride, 4-{[(3-Thienylmethyl)amino]methyl}benzoic Acid HCl, 4-([(3-Thienylmethyl)amino]methyl)benzoic acid hydrochloride, 4-[(thiophen-3-ylmethylamino)methyl]benzoic acid;hydrochloride
| Molecular Formula | C13H14ClNO2S |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 3.1579 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.04337 |
| Heavy Atoms | 18 |
| Complexity | 482.20218 |
Chemical Identifiers
| CAS Number | 1049696-49-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNCC2=CSC=C2)C(=O)O.Cl |
Product Overview
4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride (CAS 1049696-49-2), with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol. IUPAC: 4-[(thiophen-3-ylmethylamino)methyl]benzoic acid;hydrochloride.
Chemical Property Profile of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride
Property Insights of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride
The XLogP value of 3.1579 indicates that 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride 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-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
The CAS number of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride is 1049696-49-2.
What is the molecular formula of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
The molecular formula of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride is C13H14ClNO2S.
What is the molecular weight of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
The molecular weight of 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride is 283.04 g/mol.
Where can I buy 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
You can request a quote for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.