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Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
TL;DR: Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate (CAS 7472-75-5) is a chemical compound with molecular formula C25H25NO3S and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
Also Known As: Methyl S-benzyl-N-(diphenylacetyl)cysteinate, methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate, methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propano
| Molecular Formula | C25H25NO3S |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 419.15552 |
| Heavy Atoms | 30 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 7472-75-5 |
|---|---|
| SMILES | COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | CHBUGNHHDHRQFW-UHFFFAOYSA-N |
Product Overview
Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate (CAS 7472-75-5), with molecular formula C25H25NO3S and molecular weight 419.16 g/mol. IUPAC: methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate.
Chemical Property Profile of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
Property Insights of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate
The XLogP value of 4.9 indicates that Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate. Following Lipinski's Rule of Five, Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate has 1 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 Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate?
The CAS number of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate is 7472-75-5.
What is the molecular formula of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate?
The molecular formula of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate is C25H25NO3S.
What is the molecular weight of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate?
The molecular weight of Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate is 419.16 g/mol.
Where can I buy Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate?
You can request a quote for Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]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-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-benzylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.