Ambiguine
TL;DR: Ambiguine (CAS 68388-52-3) is a chemical compound with molecular formula C28H45NO8 and molecular weight 523.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-ethyl-9,16-dihydroxy-6,8,18-trimethoxy-13-(2-methoxyethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Also Known As: Ambiguine, 20-Ethyl-1,7-dihydroxy-6,8,16-trimethoxy-4-(2-methoxyethyl)aconitan-14-yl acetate, 20-Ethyl-1alpha,6beta,8,16beta-tetramethoxy-4-(methoxymethyl)aconitane-7,14alpha-diol 14-acetate, Aconitane-7,14-diol, 20-ethyl-1,6,8,16-tetramethoxy-4-(methoxymethyl)-,14-acetate, (1alpha,6beta,14alpha,16beta)-
| Molecular Formula | C28H45NO8 |
|---|---|
| Molecular Weight | 523.31 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.3145 |
| Heavy Atoms | 37 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 68388-52-3 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC(=O)C)OC)OC)O)OC)O)CCOC |
| InChIKey | PZQUJIBUDVFDII-UHFFFAOYSA-N |
Product Overview
Ambiguine (CAS 68388-52-3), with molecular formula C28H45NO8 and molecular weight 523.31 g/mol. IUPAC: [11-ethyl-9,16-dihydroxy-6,8,18-trimethoxy-13-(2-methoxyethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate.
Chemical Property Profile of Ambiguine
Property Insights of Ambiguine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ambiguine. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ambiguine. Following Lipinski's Rule of Five, Ambiguine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ambiguine?
The CAS number of Ambiguine is 68388-52-3.
What is the molecular formula of Ambiguine?
The molecular formula of Ambiguine is C28H45NO8.
What is the molecular weight of Ambiguine?
The molecular weight of Ambiguine is 523.31 g/mol.
Where can I buy Ambiguine?
You can request a quote for Ambiguine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ambiguine?
Yes, KEHONG BIO provides custom synthesis services for Ambiguine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.