Browniine
TL;DR: Browniine (CAS 5140-42-1) is a chemical compound with molecular formula C25H41NO7 and molecular weight 467.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
Also Known As: Browniine, Browniine (7CI), Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-, 20-ethyl-1alpha,6beta,16beta-trimethoxy-4-(methoxymethyl)aconitane-7,8,14alpha-triol, (1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-Ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
| Molecular Formula | C25H41NO7 |
|---|---|
| Molecular Weight | 467.29 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.2883 |
| Heavy Atoms | 33 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 5140-42-1 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)OC)COC |
| InChIKey | MODXUQZMEBLSJD-YAEAOFIFSA-N |
Product Overview
Browniine (CAS 5140-42-1), with molecular formula C25H41NO7 and molecular weight 467.29 g/mol. IUPAC: (1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol.
Chemical Property Profile of Browniine
Property Insights of Browniine
The XLogP value of -0.6 indicates that Browniine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Browniine. Following Lipinski's Rule of Five, Browniine has 3 hydrogen bond donor(s) and 8 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 Browniine?
The CAS number of Browniine is 5140-42-1.
What is the molecular formula of Browniine?
The molecular formula of Browniine is C25H41NO7.
What is the molecular weight of Browniine?
The molecular weight of Browniine is 467.29 g/mol.
Where can I buy Browniine?
You can request a quote for Browniine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Browniine?
Yes, KEHONG BIO provides custom synthesis services for Browniine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.