Bruceajavanin A
TL;DR: Bruceajavanin A (CAS 19815-92-0) is a chemical compound with molecular formula C34H48O7 and molecular weight 568.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,7R,9R,10R,13S,17R)-17-[(2R)-2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Also Known As: Bruceajavanin A, KST-1A2482, [(5r,7r,9r,10r,13s,17r)-17-[(2r)-2-acetoxy-5-(3,3-dimethyloxiran-2-yl)tetrahydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate, [(5R,7R,9R,10R,13S,17R)-17-[(2R)-2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate, Cholesta-1,14-dien-3-one,7,21-bis(acetyloxy)-21,23:24,25-diepoxy-4,4,8-trimethyl-, (5a,7a,13a,17a,20S,21R,23R,24S)- (9CI)
| Molecular Formula | C34H48O7 |
|---|---|
| Molecular Weight | 568.34 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 568.34 |
| Heavy Atoms | 41 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 19815-92-0 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@@H]([C@@]4(CC3)C)C5CC(O[C@@H]5OC(=O)C)C6C(O6)(C)C)C)C |
| InChIKey | ZTCBOAIWPIKLEJ-KUYDBUBSSA-N |
Product Overview
Bruceajavanin A (CAS 19815-92-0), with molecular formula C34H48O7 and molecular weight 568.34 g/mol. IUPAC: [(5R,7R,9R,10R,13S,17R)-17-[(2R)-2-acetyloxy-5-(3,3-dimethyloxiran-2-yl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate.
Chemical Property Profile of Bruceajavanin A
Property Insights of Bruceajavanin A
The XLogP value of 5.8 indicates that Bruceajavanin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bruceajavanin A. Following Lipinski's Rule of Five, Bruceajavanin A has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bruceajavanin A?
The CAS number of Bruceajavanin A is 19815-92-0.
What is the molecular formula of Bruceajavanin A?
The molecular formula of Bruceajavanin A is C34H48O7.
What is the molecular weight of Bruceajavanin A?
The molecular weight of Bruceajavanin A is 568.34 g/mol.
Where can I buy Bruceajavanin A?
You can request a quote for Bruceajavanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceajavanin A?
Yes, KEHONG BIO provides custom synthesis services for Bruceajavanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.