臭椿酮
TL;DR: 臭椿酮 (CAS 981-15-7) is a chemical compound with molecular formula C20H24O7 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
臭椿酮
(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Also Known As: Ailanthone, Ailantone, 13-Dehydrochaparrinone, 13,21-Didehydrochaparrinone, Ailanthone, >=98% (HPLC)
| Molecular Formula | C20H24O7 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 376.1522 |
| Heavy Atoms | 27 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 981-15-7 |
|---|---|
| SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O |
| InChIKey | WBBVXGHSWZIJST-RLQYZCPESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
臭椿酮 (CAS 981-15-7), with molecular formula C20H24O7 and molecular weight 376.15 g/mol. IUPAC: (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione.
Chemical Property Profile of 臭椿酮
Property Insights of 臭椿酮
The XLogP value of -1.1 indicates that 臭椿酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 臭椿酮. Following Lipinski's Rule of Five, 臭椿酮 has 3 hydrogen bond donor(s) and 7 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 臭椿酮?
The CAS number of 臭椿酮 is 981-15-7.
What is the molecular formula of 臭椿酮?
The molecular formula of 臭椿酮 is C20H24O7.
What is the molecular weight of 臭椿酮?
The molecular weight of 臭椿酮 is 376.15 g/mol.
Where can I buy 臭椿酮?
You can request a quote for 臭椿酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 臭椿酮?
Yes, KEHONG BIO provides custom synthesis services for 臭椿酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.