Buxaminone
TL;DR: Buxaminone (CAS 114333-58-3) is a chemical compound with molecular formula C26H41NO and molecular weight 383.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(dimethylamino)-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]ethanone
Also Known As: Buxaminone, 1-[9-(Dimethylamino)-3a,10,10,12b-tetramethyl-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydrobenzo[4,5]cyclohepta[1,2-E]inden-3-yl]ethanone #, B(9a)-Homo-19-norpregna-9(11),9a-dien-20-one, 3-(dimethylamino)-4,4,14-trimethyl-, (3.beta.,5.alpha.)-, Ethanone,1-[(3S,3aR,9S,10aR,12aR,12bS)-9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-3a,10,10,12b-tetramethylbenzo[4,5]cyclohept[1,2-e]inden-3-yl]-
| Molecular Formula | C26H41NO |
|---|---|
| Molecular Weight | 383.32 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.31882 |
| Heavy Atoms | 28 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 114333-58-3 |
|---|---|
| SMILES | CC(=O)C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C)N(C)C)C)C |
| InChIKey | MUTZYCDRKHRPOI-UHFFFAOYSA-N |
Product Overview
Buxaminone (CAS 114333-58-3), with molecular formula C26H41NO and molecular weight 383.32 g/mol. IUPAC: 1-[6-(dimethylamino)-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]ethanone.
Chemical Property Profile of Buxaminone
Property Insights of Buxaminone
The XLogP value of 5.3 indicates that Buxaminone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Buxaminone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buxaminone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buxaminone?
The CAS number of Buxaminone is 114333-58-3.
What is the molecular formula of Buxaminone?
The molecular formula of Buxaminone is C26H41NO.
What is the molecular weight of Buxaminone?
The molecular weight of Buxaminone is 383.32 g/mol.
Where can I buy Buxaminone?
You can request a quote for Buxaminone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buxaminone?
Yes, KEHONG BIO provides custom synthesis services for Buxaminone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.