3-Chlorimperialine
TL;DR: 3-Chlorimperialine (CAS 67903-58-6) is a chemical compound with molecular formula C27H43Cl2NO3 and molecular weight 499.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6S,9S,10S,11R,14S,15S,18S,20R,23R,24S)-20-chloro-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one;hydrochloride
Also Known As: 3-Chlorimperialine, 3-alpha-Chlorimperialine, 3-beta-chlorimperialine, 3-Chloro-3,20-dihydroxycevan-6-one--hydrogen chloride (1/1), (1R,2S,6S,9S,10S,11R,14S,15S,18S,20R,23R,24S)-20-chloro-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one;hydrochloride
| Molecular Formula | C27H43Cl2NO3 |
|---|---|
| Molecular Weight | 499.26 g/mol |
| LogP | 4.8746 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 499.262 |
| Heavy Atoms | 33 |
| Complexity | 802.23596 |
Chemical Identifiers
| CAS Number | 67903-58-6 |
|---|---|
| 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@@](C6)(O)Cl)C)(C)O.Cl |
Product Overview
3-Chlorimperialine (CAS 67903-58-6), with molecular formula C27H43Cl2NO3 and molecular weight 499.26 g/mol. IUPAC: (1R,2S,6S,9S,10S,11R,14S,15S,18S,20R,23R,24S)-20-chloro-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one;hydrochloride.
Chemical Property Profile of 3-Chlorimperialine
Property Insights of 3-Chlorimperialine
The XLogP value of 4.8746 indicates that 3-Chlorimperialine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorimperialine. Following Lipinski's Rule of Five, 3-Chlorimperialine 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 3-Chlorimperialine?
The CAS number of 3-Chlorimperialine is 67903-58-6.
What is the molecular formula of 3-Chlorimperialine?
The molecular formula of 3-Chlorimperialine is C27H43Cl2NO3.
What is the molecular weight of 3-Chlorimperialine?
The molecular weight of 3-Chlorimperialine is 499.26 g/mol.
Where can I buy 3-Chlorimperialine?
You can request a quote for 3-Chlorimperialine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorimperialine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorimperialine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.