![Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate structure](/static/products/907/90709-68-5.png)
Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate
TL;DR: Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate (CAS 90709-68-5) is a chemical compound with molecular formula C21H30N2O6S and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate
Also Known As: Dimethyl S-benzyl-N-butanoylcysteinylglutamate, dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate
| Molecular Formula | C21H30N2O6S |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 438.18246 |
| Heavy Atoms | 30 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 90709-68-5 |
|---|---|
| SMILES | CCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CCC(=O)OC)C(=O)OC |
| InChIKey | ZSLUCURJGQBZTH-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate (CAS 90709-68-5), with molecular formula C21H30N2O6S and molecular weight 438.18 g/mol. IUPAC: dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate.
Chemical Property Profile of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate
Property Insights of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)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-(butanoylamino)propanoyl]amino]pentanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)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-(butanoylamino)propanoyl]amino]pentanedioate?
The CAS number of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate is 90709-68-5.
What is the molecular formula of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate?
The molecular formula of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate is C21H30N2O6S.
What is the molecular weight of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate?
The molecular weight of Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate is 438.18 g/mol.
Where can I buy Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate?
You can request a quote for Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)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-(butanoylamino)propanoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[[3-benzylsulfanyl-2-(butanoylamino)propanoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.