Dimethyl 2-(ethylsulfanylmethyl)pentanedioate
TL;DR: Dimethyl 2-(ethylsulfanylmethyl)pentanedioate (CAS 91929-53-2) is a chemical compound with molecular formula C10H18O4S and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(ethylsulfanylmethyl)pentanedioate
Also Known As: dimethyl 2-[(ethylsulfanyl)methyl]pentanedioate, dimethyl 2-(ethylsulfanylmethyl)pentanedioate, 2-Ethylmercaptomethyl-glutarsaeure-dimethylester, N,N-DIMETHYL-N'-(5-NITRO-PYRIDIN-2-YL)PROPANE-1,3-DIAMINE
| Molecular Formula | C10H18O4S |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.09258 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 91929-53-2 |
|---|---|
| SMILES | CCSCC(CCC(=O)OC)C(=O)OC |
| InChIKey | AZOMGGLLGDXKFV-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(ethylsulfanylmethyl)pentanedioate (CAS 91929-53-2), with molecular formula C10H18O4S and molecular weight 234.09 g/mol. IUPAC: dimethyl 2-(ethylsulfanylmethyl)pentanedioate.
Chemical Property Profile of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate
Property Insights of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(ethylsulfanylmethyl)pentanedioate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(ethylsulfanylmethyl)pentanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(ethylsulfanylmethyl)pentanedioate has 0 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 Dimethyl 2-(ethylsulfanylmethyl)pentanedioate?
The CAS number of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate is 91929-53-2.
What is the molecular formula of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate?
The molecular formula of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate is C10H18O4S.
What is the molecular weight of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate?
The molecular weight of Dimethyl 2-(ethylsulfanylmethyl)pentanedioate is 234.09 g/mol.
Where can I buy Dimethyl 2-(ethylsulfanylmethyl)pentanedioate?
You can request a quote for Dimethyl 2-(ethylsulfanylmethyl)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-(ethylsulfanylmethyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(ethylsulfanylmethyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.