Crassicaulisine
TL;DR: Crassicaulisine (CAS 83694-44-4) is a chemical compound with molecular formula C24H39NO7 and molecular weight 453.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
Also Known As: Crassicaulisine, Aconitane-1,8,14,15-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,6alpha,14alpha,15beta,16beta)-, RefChem:919162
| Molecular Formula | C24H39NO7 |
|---|---|
| Molecular Weight | 453.27 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.27264 |
| Heavy Atoms | 32 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 83694-44-4 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4C[C@@H]([C@@H]6O)[C@H]([C@H]5O)OC)O)OC)O)COC |
| InChIKey | FPECZWKKKKZPPP-KXMOZJSXSA-N |
Product Overview
Crassicaulisine (CAS 83694-44-4), with molecular formula C24H39NO7 and molecular weight 453.27 g/mol. IUPAC: (2R,3R,4S,5S,6R,7R,8R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol.
Chemical Property Profile of Crassicaulisine
Property Insights of Crassicaulisine
The XLogP value of -1.0 indicates that Crassicaulisine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassicaulisine. Following Lipinski's Rule of Five, Crassicaulisine has 4 hydrogen bond donor(s) and 8 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 Crassicaulisine?
The CAS number of Crassicaulisine is 83694-44-4.
What is the molecular formula of Crassicaulisine?
The molecular formula of Crassicaulisine is C24H39NO7.
What is the molecular weight of Crassicaulisine?
The molecular weight of Crassicaulisine is 453.27 g/mol.
Where can I buy Crassicaulisine?
You can request a quote for Crassicaulisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassicaulisine?
Yes, KEHONG BIO provides custom synthesis services for Crassicaulisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.