Buxaminol E
TL;DR: Buxaminol E (CAS 1665-83-4) is a chemical compound with molecular formula C26H44N2O and molecular weight 400.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-aminoethyl]-6-(dimethylamino)-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol
Also Known As: Buxaminol E, KST-1A1902, (6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-aminoethyl]-6-(dimethylamino)-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol, (2r,3s,3ar,9s,10ar,12ar,12bs)-3-[(1s)-1-aminoethyl]-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-2-ol, B(9a)-Homo-19-norpregna-9(11),9a-dien-16-ol, 20-amino-3-(dimethylamino)-4,4,14-trimethyl-, (3beta,5alpha,16alpha,20S)-
| Molecular Formula | C26H44N2O |
|---|---|
| Molecular Weight | 400.35 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.34537 |
| Heavy Atoms | 29 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 1665-83-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)CC[C@@H](C4(C)C)N(C)C)C)C)O)N |
| InChIKey | AJPLABZESIJHMG-OTKPAKDNSA-N |
Product Overview
Buxaminol E (CAS 1665-83-4), with molecular formula C26H44N2O and molecular weight 400.35 g/mol. IUPAC: (6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-aminoethyl]-6-(dimethylamino)-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol.
Chemical Property Profile of Buxaminol E
Property Insights of Buxaminol E
The XLogP value of 4.8 indicates that Buxaminol E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.5 Ų, Buxaminol E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buxaminol E has 2 hydrogen bond donor(s) and 3 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 Buxaminol E?
The CAS number of Buxaminol E is 1665-83-4.
What is the molecular formula of Buxaminol E?
The molecular formula of Buxaminol E is C26H44N2O.
What is the molecular weight of Buxaminol E?
The molecular weight of Buxaminol E is 400.35 g/mol.
Where can I buy Buxaminol E?
You can request a quote for Buxaminol E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buxaminol E?
Yes, KEHONG BIO provides custom synthesis services for Buxaminol E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.