17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione
TL;DR: 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione (CAS 4596-16-1) is a chemical compound with molecular formula C28H42O4 and molecular weight 442.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate
Also Known As: 17-Hydroxyprogesterone heptanoate, Hydroxyprogesterone heptanoate, hydroxyprogesterone enanthate, 17a-Hydroxyprogesterone Heptanoate, 17alpha-Hydroxyprogesterone heptylate
| Molecular Formula | C28H42O4 |
|---|---|
| Molecular Weight | 442.31 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.30832 |
| Heavy Atoms | 32 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 4596-16-1 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C |
| InChIKey | NKJYZYWCGKSMSV-BDPSOKNUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione (CAS 4596-16-1), with molecular formula C28H42O4 and molecular weight 442.31 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate.
Chemical Property Profile of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione
Property Insights of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione
The XLogP value of 6.2 indicates that 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione 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 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione?
The CAS number of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione is 4596-16-1.
What is the molecular formula of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione?
The molecular formula of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione is C28H42O4.
What is the molecular weight of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione?
The molecular weight of 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione is 442.31 g/mol.
Where can I buy 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione?
You can request a quote for 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-((1-Oxoheptyl)oxy)pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.