3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate
TL;DR: 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate (CAS 67462-38-8) is a chemical compound with molecular formula C25H35IO5 and molecular weight 542.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Also Known As: 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate, 5-beta,17-alpha-Pregn-14-en-20-one, 3-beta,21-dihydroxy-, 3-acetate, 21-iodoacetate, 5-beta,17-alpha-Pregn-14-ene-3-beta,21-diol, 20-oxo-, 3-acetate, 21-iodoacetate, 3beta-(Acetyloxy)-20-oxo-5beta,17alpha-pregn-14-en-21-yl iodoacetate, (17alpha)-3beta,21-Dihydroxy-5beta-pregn-14-en-20-one 3-acetate 21-iodoacetate
| Molecular Formula | C25H35IO5 |
|---|---|
| Molecular Weight | 542.15 g/mol |
| LogP | 5.0444 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.1529 |
| Heavy Atoms | 31 |
| Complexity | 790.78186 |
Chemical Identifiers
| CAS Number | 67462-38-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@H]4C(=O)COC(=O)CI)C)C |
Product Overview
3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate (CAS 67462-38-8), with molecular formula C25H35IO5 and molecular weight 542.15 g/mol. IUPAC: [2-[(3S,5R,8R,9S,10S,13R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate.
Chemical Property Profile of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate
Property Insights of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate
The XLogP value of 5.0444 indicates that 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate. Following Lipinski's Rule of Five, 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate?
The CAS number of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate is 67462-38-8.
What is the molecular formula of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate?
The molecular formula of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate is C25H35IO5.
What is the molecular weight of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate?
The molecular weight of 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate is 542.15 g/mol.
Where can I buy 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate?
You can request a quote for 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-20-oxopregn-14-en-21-yl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.