![4-[[(4-氨基苯基)硫基]甲基]苯甲酸 structure](/static/products/1100/110046-24-7.webp)
4-[[(4-氨基苯基)硫基]甲基]苯甲酸
TL;DR: 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 (CAS 110046-24-7) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-氨基苯基)硫基]甲基]苯甲酸
4-[(4-aminophenyl)sulfanylmethyl]benzoic acid
Also Known As: 4-(((4-Aminophenyl)thio)methyl)benzoic acid, 4-[(4-aminophenyl)sulfanylmethyl]benzoic acid, 4-{[(4-aminophenyl)sulfanyl]methyl}benzoic acid, Benzoic acid, 4-(((4-aminophenyl)thio)methyl)-, 4-[[(4-Aminophenyl)thio]methyl]benzoic acid
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 110046-24-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)N)C(=O)O |
| InChIKey | ZDGOFIJMCPGEJN-UHFFFAOYSA-N |
Product Overview
4-[[(4-氨基苯基)硫基]甲基]苯甲酸 (CAS 110046-24-7), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: 4-[(4-aminophenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸
Property Insights of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(4-氨基苯基)硫基]甲基]苯甲酸. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-氨基苯基)硫基]甲基]苯甲酸. Following Lipinski's Rule of Five, 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 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-[[(4-氨基苯基)硫基]甲基]苯甲酸?
The CAS number of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 is 110046-24-7.
What is the molecular formula of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸?
The molecular formula of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 is C14H13NO2S.
What is the molecular weight of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸?
The molecular weight of 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 is 259.07 g/mol.
Where can I buy 4-[[(4-氨基苯基)硫基]甲基]苯甲酸?
You can request a quote for 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-氨基苯基)硫基]甲基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-氨基苯基)硫基]甲基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.