Buxabenzacine
TL;DR: Buxabenzacine (CAS 128741-20-8) is a chemical compound with molecular formula C36H54N2O4 and molecular weight 578.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,6S,7S,8R,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-3-enyl] acetate
Also Known As: Buxabenzacine, ( )-Buxabenzacine, (+)-Buxabenzacine, Benzamide, N-((3beta,4alpha,5alpha,16alpha,20S)-16-(acetyloxy)-20-dimethylamino)-4-(hydroxymethyl)-4,14-dimethyl-B(9a)-homo-19-norpregn-1(10)-en-3-yl)-N-methyl-
| Molecular Formula | C36H54N2O4 |
|---|---|
| Molecular Weight | 578.41 g/mol |
| LogP | 6.1965 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.4084 |
| Heavy Atoms | 42 |
| Complexity | 1198.0386 |
Chemical Identifiers
| CAS Number | 128741-20-8 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4C(=CC[C@@H]([C@@]4(C)CO)N(C)C(=O)C5=CC=CC=C5)C3)C)C)OC(=O)C)N(C)C |
Product Overview
Buxabenzacine (CAS 128741-20-8), with molecular formula C36H54N2O4 and molecular weight 578.41 g/mol. IUPAC: [(1R,6S,7S,8R,11R,12S,14R,15S,16R)-6-[benzoyl(methyl)amino]-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadec-3-enyl] acetate.
Chemical Property Profile of Buxabenzacine
Property Insights of Buxabenzacine
The XLogP value of 6.1965 indicates that Buxabenzacine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Buxabenzacine. Following Lipinski's Rule of Five, Buxabenzacine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buxabenzacine?
The CAS number of Buxabenzacine is 128741-20-8.
What is the molecular formula of Buxabenzacine?
The molecular formula of Buxabenzacine is C36H54N2O4.
What is the molecular weight of Buxabenzacine?
The molecular weight of Buxabenzacine is 578.41 g/mol.
Where can I buy Buxabenzacine?
You can request a quote for Buxabenzacine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buxabenzacine?
Yes, KEHONG BIO provides custom synthesis services for Buxabenzacine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.