![4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid structure](/static/products/878/878714-44-4.png)
4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
TL;DR: 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid (CAS 878714-44-4) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
Also Known As: ASN 12419922, 4-methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid, 4-methoxy-3-(((5-methylthiophen-2-yl)methyl)amino)benzoic acid, 4-methoxy-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, AN-465/43369883
| Molecular Formula | C14H15NO3S |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 3.37542 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.07727 |
| Heavy Atoms | 19 |
| Complexity | 592.1271 |
Chemical Identifiers
| CAS Number | 878714-44-4 |
|---|---|
| SMILES | CC1=CC=C(S1)CNC2=C(C=CC(=C2)C(=O)O)OC |
Product Overview
4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid (CAS 878714-44-4), with molecular formula C14H15NO3S and molecular weight 277.08 g/mol. IUPAC: 4-methoxy-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
Property Insights of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
The XLogP value of 3.37542 indicates that 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid has 2 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 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The CAS number of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is 878714-44-4.
What is the molecular formula of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The molecular formula of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is C14H15NO3S.
What is the molecular weight of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The molecular weight of 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is 277.08 g/mol.
Where can I buy 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
You can request a quote for 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}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-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.