去乙酰基楝酮
TL;DR: 去乙酰基楝酮 (CAS 10314-90-6) is a chemical compound with molecular formula C26H32O6 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去乙酰基楝酮
7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
Also Known As: Deacetylgedunin, 7-deacetylgedunin, 4-Isobutylmorpholine, GEDUNIN DEACETYL-, 7-Deacetoxy-7-hydroxygedunin
| Molecular Formula | C26H32O6 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.21988 |
| Heavy Atoms | 32 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 10314-90-6 |
|---|---|
| SMILES | CC1(C2CC(C3(C(C2(C=CC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C |
| InChIKey | HCEYJYMNIQHPPK-UHFFFAOYSA-N |
Product Overview
去乙酰基楝酮 (CAS 10314-90-6), with molecular formula C26H32O6 and molecular weight 440.22 g/mol. IUPAC: 7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione.
Chemical Property Profile of 去乙酰基楝酮
Property Insights of 去乙酰基楝酮
The XLogP value of 3.6 indicates that 去乙酰基楝酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 去乙酰基楝酮. Following Lipinski's Rule of Five, 去乙酰基楝酮 has 1 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 去乙酰基楝酮?
The CAS number of 去乙酰基楝酮 is 10314-90-6.
What is the molecular formula of 去乙酰基楝酮?
The molecular formula of 去乙酰基楝酮 is C26H32O6.
What is the molecular weight of 去乙酰基楝酮?
The molecular weight of 去乙酰基楝酮 is 440.22 g/mol.
Where can I buy 去乙酰基楝酮?
You can request a quote for 去乙酰基楝酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去乙酰基楝酮?
Yes, KEHONG BIO provides custom synthesis services for 去乙酰基楝酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.