3-Ethoxy-2,3-dihydrowithaferin-A
TL;DR: 3-Ethoxy-2,3-dihydrowithaferin-A (CAS 73336-40-0) is a chemical compound with molecular formula C30H44O7 and molecular weight 516.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Also Known As: DIHYDROWITHAFERIN-A,3-, 3-Ethoxy-2,3-dihydrowithaferin-A, 3-Ethoxy-4,27-dihydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
| Molecular Formula | C30H44O7 |
|---|---|
| Molecular Weight | 516.31 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.3087 |
| Heavy Atoms | 37 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 73336-40-0 |
|---|---|
| SMILES | CCOC1CC(=O)C2(C3CCC4(C(C3CC5C2(C1O)O5)CCC4C(C)C6CC(=C(C(=O)O6)CO)C)C)C |
| InChIKey | HMQRGVVCWGIDPE-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-2,3-dihydrowithaferin-A (CAS 73336-40-0), with molecular formula C30H44O7 and molecular weight 516.31 g/mol. IUPAC: 5-ethoxy-6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one.
Chemical Property Profile of 3-Ethoxy-2,3-dihydrowithaferin-A
Property Insights of 3-Ethoxy-2,3-dihydrowithaferin-A
The XLogP value of 3.8 indicates that 3-Ethoxy-2,3-dihydrowithaferin-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-2,3-dihydrowithaferin-A. Following Lipinski's Rule of Five, 3-Ethoxy-2,3-dihydrowithaferin-A has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethoxy-2,3-dihydrowithaferin-A?
The CAS number of 3-Ethoxy-2,3-dihydrowithaferin-A is 73336-40-0.
What is the molecular formula of 3-Ethoxy-2,3-dihydrowithaferin-A?
The molecular formula of 3-Ethoxy-2,3-dihydrowithaferin-A is C30H44O7.
What is the molecular weight of 3-Ethoxy-2,3-dihydrowithaferin-A?
The molecular weight of 3-Ethoxy-2,3-dihydrowithaferin-A is 516.31 g/mol.
Where can I buy 3-Ethoxy-2,3-dihydrowithaferin-A?
You can request a quote for 3-Ethoxy-2,3-dihydrowithaferin-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2,3-dihydrowithaferin-A?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2,3-dihydrowithaferin-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.