![4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid structure](/static/products/878/878714-42-2.png)
4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
TL;DR: 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid (CAS 878714-42-2) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
Also Known As: ASN 12419917, 4-methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid, 4-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, AN-465/43369882, 4-methyl-3-{[(5-methylthien-2-yl)methyl]amino}benzoic acid
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 3.67524 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 574.92303 |
Chemical Identifiers
| CAS Number | 878714-42-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(S2)C |
Product Overview
4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid (CAS 878714-42-2), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: 4-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
Property Insights of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
The XLogP value of 3.67524 indicates that 4-Methyl-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 49.33 Ų, 4-Methyl-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-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}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-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The CAS number of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is 878714-42-2.
What is the molecular formula of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The molecular formula of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is C14H15NO2S.
What is the molecular weight of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
The molecular weight of 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid is 261.08 g/mol.
Where can I buy 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
You can request a quote for 4-Methyl-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-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.