Crassicauline A
TL;DR: Crassicauline A (CAS 79592-91-9) is a chemical compound with molecular formula C35H49NO10 and molecular weight 643.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Also Known As: Crassicauline A, Somantadine, Crassicauline I, Crassicauline-A, 8-O-Acetylforestine
| Molecular Formula | C35H49NO10 |
|---|---|
| Molecular Weight | 643.34 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 643.33563 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 79592-91-9 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC |
| InChIKey | GAZDXIGXYWVWQX-UHFFFAOYSA-N |
Product Overview
Crassicauline A (CAS 79592-91-9), with molecular formula C35H49NO10 and molecular weight 643.34 g/mol. IUPAC: [8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate.
Chemical Property Profile of Crassicauline A
Property Insights of Crassicauline A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crassicauline A. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassicauline A. Following Lipinski's Rule of Five, Crassicauline A has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crassicauline A?
The CAS number of Crassicauline A is 79592-91-9.
What is the molecular formula of Crassicauline A?
The molecular formula of Crassicauline A is C35H49NO10.
What is the molecular weight of Crassicauline A?
The molecular weight of Crassicauline A is 643.34 g/mol.
Where can I buy Crassicauline A?
You can request a quote for Crassicauline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassicauline A?
Yes, KEHONG BIO provides custom synthesis services for Crassicauline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.