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Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate
TL;DR: Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate (CAS 67688-65-7) is a chemical compound with molecular formula C21H31NO5S and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(3-benzylsulfanyl-3-methylbutyl)propanedioate
Also Known As: Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate, diethyl 2-acetamido-2-(3-benzylsulfanyl-3-methylbutyl)propanedioate
| Molecular Formula | C21H31NO5S |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 409.1923 |
| Heavy Atoms | 28 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 67688-65-7 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)(C)SCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C |
| InChIKey | OOAGLGSWFWDLKZ-UHFFFAOYSA-N |
Product Overview
Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate (CAS 67688-65-7), with molecular formula C21H31NO5S and molecular weight 409.19 g/mol. IUPAC: diethyl 2-acetamido-2-(3-benzylsulfanyl-3-methylbutyl)propanedioate.
Chemical Property Profile of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate
Property Insights of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate
The XLogP value of 3.6 indicates that Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate. Following Lipinski's Rule of Five, Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate has 1 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 Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate?
The CAS number of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate is 67688-65-7.
What is the molecular formula of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate?
The molecular formula of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate is C21H31NO5S.
What is the molecular weight of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate?
The molecular weight of Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate is 409.19 g/mol.
Where can I buy Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate?
You can request a quote for Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetamido[3-(benzylsulfanyl)-3-methylbutyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.