香格木碱
TL;DR: 香格木碱 (CAS 468-76-8) is a chemical compound with molecular formula C24H39NO4 and molecular weight 405.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香格木碱
2-(dimethylamino)ethyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate
Also Known As: Diterpene alkaloid, CASSAINE, NCI60_041577, 2-dimethylaminoethyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate
| Molecular Formula | C24H39NO4 |
|---|---|
| Molecular Weight | 405.29 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.2879 |
| Heavy Atoms | 29 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 468-76-8 |
|---|---|
| SMILES | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C |
| InChIKey | GMHWATCMBXIANN-UHFFFAOYSA-N |
Product Overview
香格木碱 (CAS 468-76-8), with molecular formula C24H39NO4 and molecular weight 405.29 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate.
Chemical Property Profile of 香格木碱
Property Insights of 香格木碱
The XLogP value of 3.1 indicates that 香格木碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 香格木碱. Following Lipinski's Rule of Five, 香格木碱 has 1 hydrogen bond donor(s) and 5 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 香格木碱?
The CAS number of 香格木碱 is 468-76-8.
What is the molecular formula of 香格木碱?
The molecular formula of 香格木碱 is C24H39NO4.
What is the molecular weight of 香格木碱?
The molecular weight of 香格木碱 is 405.29 g/mol.
Where can I buy 香格木碱?
You can request a quote for 香格木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香格木碱?
Yes, KEHONG BIO provides custom synthesis services for 香格木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.