Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate
TL;DR: Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate (CAS 144335-23-9) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methylphenyl)sulfinylamino]-3-phenylbutanoate
Also Known As: NCI60_023197, Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate, methyl 3-phenyl-3-(p-tolylsulfinylamino)butanoate, 3-Hydroxy-1-aza-bicyclo[2.2.1]heptane-3-carboxylic, methyl 3-[(4-methylphenyl)sulfinylamino]-3-phenylbutanoate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 144335-23-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)NC(C)(CC(=O)OC)C2=CC=CC=C2 |
| InChIKey | IELXERIOKUYSQC-UHFFFAOYSA-N |
Product Overview
Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate (CAS 144335-23-9), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: methyl 3-[(4-methylphenyl)sulfinylamino]-3-phenylbutanoate.
Chemical Property Profile of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate
Property Insights of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate
The XLogP value of 3.4 indicates that Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate. Following Lipinski's Rule of Five, Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate has 1 hydrogen bond donor(s) and 5 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-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate?
The CAS number of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate is 144335-23-9.
What is the molecular formula of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate?
The molecular formula of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate is C18H21NO3S.
What is the molecular weight of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate?
The molecular weight of Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate is 331.12 g/mol.
Where can I buy Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate?
You can request a quote for Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(((4-methylphenyl)sulfinyl)amino)-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.