3-acetoxy-1,3,5,7-cholestatetraene
TL;DR: 3-acetoxy-1,3,5,7-cholestatetraene (CAS 64110-25-4) is a chemical compound with molecular formula C29H42O2 and molecular weight 422.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-11,12,14,15,16,17-hexahydro-9H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-acetoxy-1,3,5,7-cholestatetraene, cholesta-1,3,5,7-tetraen-3-yl acetate, Cholesta-1,3,5,7-tetraen-3-ol, acetate
| Molecular Formula | C29H42O2 |
|---|---|
| Molecular Weight | 422.32 g/mol |
| LogP | 7.7808 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.31848 |
| Heavy Atoms | 31 |
| Complexity | 840.7983 |
Chemical Identifiers
| CAS Number | 64110-25-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(C=CC(=C4)OC(=O)C)C)C |
Product Overview
3-acetoxy-1,3,5,7-cholestatetraene (CAS 64110-25-4), with molecular formula C29H42O2 and molecular weight 422.32 g/mol. IUPAC: [(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-11,12,14,15,16,17-hexahydro-9H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-acetoxy-1,3,5,7-cholestatetraene
Property Insights of 3-acetoxy-1,3,5,7-cholestatetraene
The XLogP value of 7.7808 indicates that 3-acetoxy-1,3,5,7-cholestatetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-acetoxy-1,3,5,7-cholestatetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetoxy-1,3,5,7-cholestatetraene 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 3-acetoxy-1,3,5,7-cholestatetraene?
The CAS number of 3-acetoxy-1,3,5,7-cholestatetraene is 64110-25-4.
What is the molecular formula of 3-acetoxy-1,3,5,7-cholestatetraene?
The molecular formula of 3-acetoxy-1,3,5,7-cholestatetraene is C29H42O2.
What is the molecular weight of 3-acetoxy-1,3,5,7-cholestatetraene?
The molecular weight of 3-acetoxy-1,3,5,7-cholestatetraene is 422.32 g/mol.
Where can I buy 3-acetoxy-1,3,5,7-cholestatetraene?
You can request a quote for 3-acetoxy-1,3,5,7-cholestatetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetoxy-1,3,5,7-cholestatetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-acetoxy-1,3,5,7-cholestatetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.