灰叶草素
TL;DR: 灰叶草素 (CAS 76-80-2) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
灰叶草素
(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
Also Known As: Tephrosin, hydroxydeguelin, deguelinol I, (-)-TEPHROSIN, TOXICAROL
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 76-80-2 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)C |
| InChIKey | AQBZCCQCDWNNJQ-AUSIDOKSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
灰叶草素 (CAS 76-80-2), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one.
Chemical Property Profile of 灰叶草素
Property Insights of 灰叶草素
The XLogP value of 3.0 indicates that 灰叶草素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 灰叶草素. Following Lipinski's Rule of Five, 灰叶草素 has 1 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 灰叶草素?
The CAS number of 灰叶草素 is 76-80-2.
What is the molecular formula of 灰叶草素?
The molecular formula of 灰叶草素 is C23H22O7.
What is the molecular weight of 灰叶草素?
The molecular weight of 灰叶草素 is 410.14 g/mol.
Where can I buy 灰叶草素?
You can request a quote for 灰叶草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灰叶草素?
Yes, KEHONG BIO provides custom synthesis services for 灰叶草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.