Buxaminol B
TL;DR: Buxaminol B (CAS 58672-77-8) is a chemical compound with molecular formula C27H46N2O and molecular weight 414.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8R,12S,14R,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1S)-1-(methylamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol
Also Known As: Buxaminol B, Madumycin I, B(9a)-Homo-19-norpregna-9(11),9a-dien-16-ol, 3-(dimethylamino)-4,4,14-trimethyl-20-(methylamino)-, (3beta,5alpha,16alpha,20S)-, (3S,5R,8xi,20S)-3-(Dimethylamino)-4,4,14-trimethyl-20-(methylamino)-9,19-cyclo-9,10-secopregna-9(11),10-dien-16alpha-ol, 3-(Dimethylamino)-4,4,14-trimethyl-20-(methylamino)-9,19-cyclo-9,10-secopregna-9(11),10-dien-16-ol
| Molecular Formula | C27H46N2O |
|---|---|
| Molecular Weight | 414.36 g/mol |
| LogP | 5.0206 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.36102 |
| Heavy Atoms | 30 |
| Complexity | 737.1451 |
Chemical Identifiers
| CAS Number | 58672-77-8 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2CC[C@@H]4C(=C3)CC[C@@H](C4(C)C)N(C)C)C)C)O)NC |
Product Overview
Buxaminol B (CAS 58672-77-8), with molecular formula C27H46N2O and molecular weight 414.36 g/mol. IUPAC: (6S,8R,12S,14R,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1S)-1-(methylamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-14-ol.
Chemical Property Profile of Buxaminol B
Property Insights of Buxaminol B
The XLogP value of 5.0206 indicates that Buxaminol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Buxaminol B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buxaminol B has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buxaminol B?
The CAS number of Buxaminol B is 58672-77-8.
What is the molecular formula of Buxaminol B?
The molecular formula of Buxaminol B is C27H46N2O.
What is the molecular weight of Buxaminol B?
The molecular weight of Buxaminol B is 414.36 g/mol.
Where can I buy Buxaminol B?
You can request a quote for Buxaminol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buxaminol B?
Yes, KEHONG BIO provides custom synthesis services for Buxaminol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.