Crassicautine
TL;DR: Crassicautine (CAS 119269-74-8) is a chemical compound with molecular formula C34H49NO10 and molecular weight 631.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-ethyl-5,14-dihydroxy-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: Crassicautine, 20-ethyl-3,13-dihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
| Molecular Formula | C34H49NO10 |
|---|---|
| Molecular Weight | 631.34 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 631.33563 |
| Heavy Atoms | 45 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 119269-74-8 |
|---|---|
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC)OC)OC)O)COC |
| InChIKey | OFXAETWIISXNGM-UHFFFAOYSA-N |
Product Overview
Crassicautine (CAS 119269-74-8), with molecular formula C34H49NO10 and molecular weight 631.34 g/mol. IUPAC: [11-ethyl-5,14-dihydroxy-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 Crassicautine
Property Insights of Crassicautine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crassicautine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassicautine. Following Lipinski's Rule of Five, Crassicautine has 2 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 Crassicautine?
The CAS number of Crassicautine is 119269-74-8.
What is the molecular formula of Crassicautine?
The molecular formula of Crassicautine is C34H49NO10.
What is the molecular weight of Crassicautine?
The molecular weight of Crassicautine is 631.34 g/mol.
Where can I buy Crassicautine?
You can request a quote for Crassicautine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassicautine?
Yes, KEHONG BIO provides custom synthesis services for Crassicautine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.