(5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate
TL;DR: (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate (CAS 87559-58-8) is a chemical compound with molecular formula C15H20O5S and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methyl benzoate
Also Known As: ethyl 6-o-benzoyl-1-deoxy-2-thiohex-2-ulofuranoside, (5-ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate, (5-ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methyl benzoate
| Molecular Formula | C15H20O5S |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.10315 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 87559-58-8 |
|---|---|
| SMILES | CCSC1(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)C |
| InChIKey | XLWGWXDNRWVXTM-UHFFFAOYSA-N |
Product Overview
(5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate (CAS 87559-58-8), with molecular formula C15H20O5S and molecular weight 312.10 g/mol. IUPAC: (5-ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methyl benzoate.
Chemical Property Profile of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate
Property Insights of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate. Following Lipinski's Rule of Five, (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate has 2 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 (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate?
The CAS number of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate is 87559-58-8.
What is the molecular formula of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate?
The molecular formula of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate is C15H20O5S.
What is the molecular weight of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate?
The molecular weight of (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate is 312.10 g/mol.
Where can I buy (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate?
You can request a quote for (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethylsulfanyl-3,4-dihydroxy-5-methyloxolan-2-yl)methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.