O-Acetyl-N-benzoylbuxidienine
TL;DR: O-Acetyl-N-benzoylbuxidienine (CAS 126035-07-2) is a chemical compound with molecular formula C35H50N2O4 and molecular weight 562.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-benzamido-15-[1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate
Also Known As: O-Acetyl-N-benzoylbuxidienine, N-Benzoylbuxidienine C 16-acetate, N-[16-(Acetyloxy)-20-(dimethylamino)-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclo-9,10-secopregna-9(11),10-dien-3-yl]benzenecarboximidic acid
| Molecular Formula | C35H50N2O4 |
|---|---|
| Molecular Weight | 562.38 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 562.3771 |
| Heavy Atoms | 41 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 126035-07-2 |
|---|---|
| SMILES | CC(C1C(CC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)CO)NC(=O)C5=CC=CC=C5)C)C)OC(=O)C)N(C)C |
| InChIKey | WMQZHAXDHLCTLV-UHFFFAOYSA-N |
Product Overview
O-Acetyl-N-benzoylbuxidienine (CAS 126035-07-2), with molecular formula C35H50N2O4 and molecular weight 562.38 g/mol. IUPAC: [6-benzamido-15-[1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate.
Chemical Property Profile of O-Acetyl-N-benzoylbuxidienine
Property Insights of O-Acetyl-N-benzoylbuxidienine
The XLogP value of 6.0 indicates that O-Acetyl-N-benzoylbuxidienine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Acetyl-N-benzoylbuxidienine. Following Lipinski's Rule of Five, O-Acetyl-N-benzoylbuxidienine has 2 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 O-Acetyl-N-benzoylbuxidienine?
The CAS number of O-Acetyl-N-benzoylbuxidienine is 126035-07-2.
What is the molecular formula of O-Acetyl-N-benzoylbuxidienine?
The molecular formula of O-Acetyl-N-benzoylbuxidienine is C35H50N2O4.
What is the molecular weight of O-Acetyl-N-benzoylbuxidienine?
The molecular weight of O-Acetyl-N-benzoylbuxidienine is 562.38 g/mol.
Where can I buy O-Acetyl-N-benzoylbuxidienine?
You can request a quote for O-Acetyl-N-benzoylbuxidienine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Acetyl-N-benzoylbuxidienine?
Yes, KEHONG BIO provides custom synthesis services for O-Acetyl-N-benzoylbuxidienine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.