Dehydrobrowniine
TL;DR: Dehydrobrowniine (CAS 5443-48-1) is a chemical compound with molecular formula C25H39NO7 and molecular weight 465.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
Also Known As: Dehydrobrowniine, 14-Dehydrobrowniine, 14-Dehydro-browniin, 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-one, 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
| Molecular Formula | C25H39NO7 |
|---|---|
| Molecular Weight | 465.27 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.27264 |
| Heavy Atoms | 33 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 5443-48-1 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC |
| InChIKey | MWOQLGAENOKSHS-UHFFFAOYSA-N |
Product Overview
Dehydrobrowniine (CAS 5443-48-1), with molecular formula C25H39NO7 and molecular weight 465.27 g/mol. IUPAC: 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one.
Chemical Property Profile of Dehydrobrowniine
Property Insights of Dehydrobrowniine
The XLogP value of -0.7 indicates that Dehydrobrowniine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrobrowniine. Following Lipinski's Rule of Five, Dehydrobrowniine has 2 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 Dehydrobrowniine?
The CAS number of Dehydrobrowniine is 5443-48-1.
What is the molecular formula of Dehydrobrowniine?
The molecular formula of Dehydrobrowniine is C25H39NO7.
What is the molecular weight of Dehydrobrowniine?
The molecular weight of Dehydrobrowniine is 465.27 g/mol.
Where can I buy Dehydrobrowniine?
You can request a quote for Dehydrobrowniine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrobrowniine?
Yes, KEHONG BIO provides custom synthesis services for Dehydrobrowniine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.