3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene
TL;DR: 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene (CAS 258849-92-2) is a chemical compound with molecular formula C31H50O4 and molecular weight 486.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8S,13R,14S,17R)-6-acetyloxy-5,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: KST-1A3238, 3beta,6beta-diacetoxy-5beta-methyl-19-norcholest-9(10)-ene, (3, A,5, A,6
| Molecular Formula | C31H50O4 |
|---|---|
| Molecular Weight | 486.37 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.3709 |
| Heavy Atoms | 35 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 258849-92-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CC[C@@H](C[C@]4([C@@H](C[C@@H]23)OC(=O)C)C)OC(=O)C)C |
| InChIKey | BRCZWIHTKRDUFE-LQVKLLJQSA-N |
Product Overview
3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene (CAS 258849-92-2), with molecular formula C31H50O4 and molecular weight 486.37 g/mol. IUPAC: [(3S,5R,6R,8S,13R,14S,17R)-6-acetyloxy-5,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene
Property Insights of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene
The XLogP value of 8.0 indicates that 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene?
The CAS number of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene is 258849-92-2.
What is the molecular formula of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene?
The molecular formula of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene is C31H50O4.
What is the molecular weight of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene?
The molecular weight of 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene is 486.37 g/mol.
Where can I buy 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene?
You can request a quote for 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene?
Yes, KEHONG BIO provides custom synthesis services for 3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.