皇冠贝母碱
TL;DR: 皇冠贝母碱 (CAS 61825-98-7) is a chemical compound with molecular formula C27H43NO3 and molecular weight 429.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
皇冠贝母碱
(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Also Known As: Imperialine, sipeimine, Kashmirine, Raddeamine, Imperialin
| Molecular Formula | C27H43NO3 |
|---|---|
| Molecular Weight | 429.32 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 429.32428 |
| Heavy Atoms | 31 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 61825-98-7 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O |
| InChIKey | IQDIERHFZVCNRZ-LRCDAWNTSA-N |
Product Overview
皇冠贝母碱 (CAS 61825-98-7), with molecular formula C27H43NO3 and molecular weight 429.32 g/mol. IUPAC: (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one.
Chemical Property Profile of 皇冠贝母碱
Property Insights of 皇冠贝母碱
The XLogP value of 3.9 indicates that 皇冠贝母碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 皇冠贝母碱. Following Lipinski's Rule of Five, 皇冠贝母碱 has 2 hydrogen bond donor(s) and 4 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 皇冠贝母碱?
The CAS number of 皇冠贝母碱 is 61825-98-7.
What is the molecular formula of 皇冠贝母碱?
The molecular formula of 皇冠贝母碱 is C27H43NO3.
What is the molecular weight of 皇冠贝母碱?
The molecular weight of 皇冠贝母碱 is 429.32 g/mol.
Where can I buy 皇冠贝母碱?
You can request a quote for 皇冠贝母碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 皇冠贝母碱?
Yes, KEHONG BIO provides custom synthesis services for 皇冠贝母碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.