![Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate structure](/static/products/907/90709-67-4.png)
Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate
TL;DR: Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate (CAS 90709-67-4) is a chemical compound with molecular formula C20H28N2O6S and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate
Also Known As: Dimethyl S-benzyl-N-propanoylcysteinylglutamate, dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate
| Molecular Formula | C20H28N2O6S |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 424.1668 |
| Heavy Atoms | 29 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 90709-67-4 |
|---|---|
| SMILES | CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CCC(=O)OC)C(=O)OC |
| InChIKey | JSSYXPQYWALTIC-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate (CAS 90709-67-4), with molecular formula C20H28N2O6S and molecular weight 424.17 g/mol. IUPAC: dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate.
Chemical Property Profile of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate
Property Insights of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate has 2 hydrogen bond donor(s) and 7 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 Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate?
The CAS number of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate is 90709-67-4.
What is the molecular formula of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate?
The molecular formula of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate is C20H28N2O6S.
What is the molecular weight of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate?
The molecular weight of Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate is 424.17 g/mol.
Where can I buy Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate?
You can request a quote for Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[[3-benzylsulfanyl-2-(propanoylamino)propanoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.