![Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate structure](/static/products/846/84645-12-5.png)
Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate
TL;DR: Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate (CAS 84645-12-5) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate
Also Known As: Diltiazem Impurity 37, J2.429.196K, methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate, Methyl 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate, (alphaS,betaS)-beta-[(2-Aminophenyl)thio]-alpha-hydroxy-4-methoxybenzenepropanoic Acid Methyl Ester
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.6447 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 659.8979 |
Chemical Identifiers
| CAS Number | 84645-12-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=CC=CC=C2N |
Product Overview
Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate (CAS 84645-12-5), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: methyl 3-(2-aminophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate
Property Insights of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate
The XLogP value of 2.6447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate. The TPSA of 81.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate has 2 hydrogen bond donor(s) and 6 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 Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The CAS number of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate is 84645-12-5.
What is the molecular formula of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The molecular formula of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate is C17H19NO4S.
What is the molecular weight of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate?
The molecular weight of Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate is 333.10 g/mol.
Where can I buy Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate?
You can request a quote for Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-aminophenyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.