Ethisolide
TL;DR: Ethisolide (CAS 33644-17-6) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,6aR)-4-ethyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Also Known As: Ethisolide, 4-epi-Ethisolide, (-)-Ethisolide, KST-1A4413, (3ar,4s,6ar)-4-ethyl-3-methylidenedihydrofuro[3,4-b]furan-2,6(3h,4h)-dione
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 33644-17-6 |
|---|---|
| SMILES | CC[C@H]1[C@@H]2[C@H](C(=O)O1)OC(=O)C2=C |
| InChIKey | USWKEJMURBWWQX-RRKCRQDMSA-N |
Product Overview
Ethisolide (CAS 33644-17-6), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: (3aR,4S,6aR)-4-ethyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione.
Chemical Property Profile of Ethisolide
Property Insights of Ethisolide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethisolide. With a topological polar surface area (TPSA) of 52.6 Ų, Ethisolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethisolide has 0 hydrogen bond donor(s) and 4 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 Ethisolide?
The CAS number of Ethisolide is 33644-17-6.
What is the molecular formula of Ethisolide?
The molecular formula of Ethisolide is C9H10O4.
What is the molecular weight of Ethisolide?
The molecular weight of Ethisolide is 182.06 g/mol.
Where can I buy Ethisolide?
You can request a quote for Ethisolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethisolide?
Yes, KEHONG BIO provides custom synthesis services for Ethisolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.