![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 283.04337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C13H14ClNO2S |
| Molecular Weight | 283.04337 g/mol |
| XLogP | 3.1579 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.04337 Da |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
| SMILES | C1=CC(=CC=C1CNCC2=CSC=C2)C(=O)O.Cl |
| InChIKey | SLMOYJALWBBHCO-UHFFFAOYSA-N |
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. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride. Following Lipinski's Rule of Five, 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride 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
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 283.04337 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(3-Thienylmethyl)amino]methyl}benzoic acid hydrochloride?
Yes, CoreyChem 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.