17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate
TL;DR: 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate (CAS 33626-80-1) is a chemical compound with molecular formula C23H31IO5 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Also Known As: 17-hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate, -21-17-hydroxypregn-4-ene-3,20-dione, 17-alpha,21-Dihydroxy-14-alpha-pregn-4-ene-3,20-dione 21-iodoacetate, 14-alpha-Pregn-4-ene-3,20-dione, 17-alpha,21-dihydroxy-, 21-iodoacetate, Pregn-4-ene-3,20-dione, 17,21-dihydroxy-, 21-(iodoacetate)
| Molecular Formula | C23H31IO5 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.12164 |
| Heavy Atoms | 29 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 33626-80-1 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CI)O)C |
| InChIKey | PVHZKZWSFLQBEH-BZRUYPMDSA-N |
Product Overview
17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate (CAS 33626-80-1), with molecular formula C23H31IO5 and molecular weight 514.12 g/mol. IUPAC: [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate.
Chemical Property Profile of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate
Property Insights of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate
The XLogP value of 3.2 indicates that 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate. Following Lipinski's Rule of Five, 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate has 1 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 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate?
The CAS number of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate is 33626-80-1.
What is the molecular formula of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate?
The molecular formula of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate is C23H31IO5.
What is the molecular weight of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate?
The molecular weight of 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate is 514.12 g/mol.
Where can I buy 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate?
You can request a quote for 17-Hydroxy-3,20-dioxopregn-4-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 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3,20-dioxopregn-4-en-21-yl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.