Crassicausine
TL;DR: Crassicausine (CAS 119264-83-4) is a chemical compound with molecular formula C34H49NO9 and molecular weight 615.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-ethyl-5-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Also Known As: Crassicausine, 20-ethyl-13-hydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
| Molecular Formula | C34H49NO9 |
|---|---|
| Molecular Weight | 615.34 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 615.34076 |
| Heavy Atoms | 44 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 119264-83-4 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC)OC)OC)COC |
| InChIKey | AFRMHVZQQVWATN-UHFFFAOYSA-N |
Product Overview
Crassicausine (CAS 119264-83-4), with molecular formula C34H49NO9 and molecular weight 615.34 g/mol. IUPAC: [11-ethyl-5-hydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate.
Chemical Property Profile of Crassicausine
Property Insights of Crassicausine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crassicausine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassicausine. Following Lipinski's Rule of Five, Crassicausine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crassicausine?
The CAS number of Crassicausine is 119264-83-4.
What is the molecular formula of Crassicausine?
The molecular formula of Crassicausine is C34H49NO9.
What is the molecular weight of Crassicausine?
The molecular weight of Crassicausine is 615.34 g/mol.
Where can I buy Crassicausine?
You can request a quote for Crassicausine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassicausine?
Yes, KEHONG BIO provides custom synthesis services for Crassicausine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.