Crassicaulidine
TL;DR: Crassicaulidine (CAS 83704-07-8) is a chemical compound with molecular formula C24H39NO8 and molecular weight 469.27 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,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol
Also Known As: Crassicaulidine, 3alpha-Hydroxycrassicaulisine, Aconitane-1,3,8,14,15-pentol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,3alpha,6alpha,14alpha,15beta,16beta)-
| Molecular Formula | C24H39NO8 |
|---|---|
| Molecular Weight | 469.27 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.26758 |
| Heavy Atoms | 33 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 83704-07-8 |
|---|---|
| SMILES | CCN1C[C@@]2([C@@H](C[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)O)COC |
| InChIKey | BHISMAZIHGUBPO-WUFPVXNBSA-N |
Product Overview
Crassicaulidine (CAS 83704-07-8), with molecular formula C24H39NO8 and molecular weight 469.27 g/mol. IUPAC: (2R,3R,4S,5S,6R,7R,8R,13R,14R,16S,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,14,16-pentol.
Chemical Property Profile of Crassicaulidine
Property Insights of Crassicaulidine
The XLogP value of -2.0 indicates that Crassicaulidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassicaulidine. Following Lipinski's Rule of Five, Crassicaulidine has 5 hydrogen bond donor(s) and 9 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 Crassicaulidine?
The CAS number of Crassicaulidine is 83704-07-8.
What is the molecular formula of Crassicaulidine?
The molecular formula of Crassicaulidine is C24H39NO8.
What is the molecular weight of Crassicaulidine?
The molecular weight of Crassicaulidine is 469.27 g/mol.
Where can I buy Crassicaulidine?
You can request a quote for Crassicaulidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassicaulidine?
Yes, KEHONG BIO provides custom synthesis services for Crassicaulidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.