3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde
TL;DR: 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde (CAS 65065-57-8) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S)-16-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde, 2-Furancarboxamide,5-iodo-N-(3-nitrophenyl), J2.791.504C, 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethanol, A-(acetyloxy)-5
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 65065-57-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=C4)C=O)C)C |
| InChIKey | IZJWIBVOSGOTPV-MZLYOWLHSA-N |
Product Overview
3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde (CAS 65065-57-8), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S)-16-formyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde
Property Insights of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde
The XLogP value of 5.1 indicates that 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde has 0 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 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde?
The CAS number of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde is 65065-57-8.
What is the molecular formula of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde?
The molecular formula of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde is C22H32O3.
What is the molecular weight of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde?
The molecular weight of 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde is 344.24 g/mol.
Where can I buy 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde?
You can request a quote for 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.