Umbrosine
TL;DR: Umbrosine (CAS 63201-50-3) is a chemical compound with molecular formula C24H39NO6 and molecular weight 437.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-4,6-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16,18-triol
Also Known As: Paniculatine, Umbrosine, 20-Ethyl-14,16-dimethoxy-4-(methoxymethyl)aconitane-1,6,8-triol, 11-Ethyl-4,6-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16,18-triol, Aconitane-1,7,8-triol, 20-ethyl-14,16-dimethoxy-4-(methoxymethyl)-, (1alpha,14alpha,16beta)-
| Molecular Formula | C24H39NO6 |
|---|---|
| Molecular Weight | 437.28 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.27774 |
| Heavy Atoms | 31 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 63201-50-3 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)O)O)COC |
| InChIKey | FUJKZUBHKFCRBD-UHFFFAOYSA-N |
Product Overview
Umbrosine (CAS 63201-50-3), with molecular formula C24H39NO6 and molecular weight 437.28 g/mol. IUPAC: 11-ethyl-4,6-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,16,18-triol.
Chemical Property Profile of Umbrosine
Property Insights of Umbrosine
The XLogP value of -0.1 indicates that Umbrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Umbrosine. Following Lipinski's Rule of Five, Umbrosine has 3 hydrogen bond donor(s) and 7 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 Umbrosine?
The CAS number of Umbrosine is 63201-50-3.
What is the molecular formula of Umbrosine?
The molecular formula of Umbrosine is C24H39NO6.
What is the molecular weight of Umbrosine?
The molecular weight of Umbrosine is 437.28 g/mol.
Where can I buy Umbrosine?
You can request a quote for Umbrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Umbrosine?
Yes, KEHONG BIO provides custom synthesis services for Umbrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.