ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
TL;DR: ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate (CAS 3647-33-4) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-3-methyloxirane-2-carboxylate
Also Known As: ethyl 3-ethyl-3-methyloxirane-2-carboxylate, ethyl 2,3-epoxy-3-methylvalerate, ethyl2,3-epoxy-3-methylvalerate, ethyl 2,3-anhydro-4,5-dideoxy-3-methylpentonate, Ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 3647-33-4 |
|---|---|
| SMILES | CCC1(C(O1)C(=O)OCC)C |
| InChIKey | JOZYMCPJDYLLDD-UHFFFAOYSA-N |
Product Overview
ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate (CAS 3647-33-4), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: ethyl 3-ethyl-3-methyloxirane-2-carboxylate.
Chemical Property Profile of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
Property Insights of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate. With a topological polar surface area (TPSA) of 38.8 Ų, ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate has 0 hydrogen bond donor(s) and 3 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 ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate?
The CAS number of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate is 3647-33-4.
What is the molecular formula of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate?
The molecular formula of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate is C8H14O3.
What is the molecular weight of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate?
The molecular weight of ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate is 158.09 g/mol.
Where can I buy ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate?
You can request a quote for ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,3-anhydro-4,5-dideoxy-3-C-methylpentonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.