21-pivaloyloxy-pregn-4-ene-3,20-dione
TL;DR: 21-pivaloyloxy-pregn-4-ene-3,20-dione (CAS 28227-36-3) is a chemical compound with molecular formula C27H41NO and molecular weight 395.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-[(E)-1-piperidin-1-ylprop-1-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 21-pivaloyloxy-pregn-4-ene-3,20-dione, 20-(piperidin-1-ylmethylidene)pregn-4-en-3-one, 10,13-dimethyl-17-[(E)-1-piperidin-1-ylprop-1-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 10,13-dimethyl-17-(1-piperidin-1-ylprop-1-en-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C27H41NO |
|---|---|
| Molecular Weight | 395.32 g/mol |
| LogP | 6.5242 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.31882 |
| Heavy Atoms | 29 |
| Complexity | 728.8198 |
Chemical Identifiers
| CAS Number | 28227-36-3 |
|---|---|
| SMILES | C/C(=C\N1CCCCC1)/C2CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C |
Product Overview
21-pivaloyloxy-pregn-4-ene-3,20-dione (CAS 28227-36-3), with molecular formula C27H41NO and molecular weight 395.32 g/mol. IUPAC: 10,13-dimethyl-17-[(E)-1-piperidin-1-ylprop-1-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 21-pivaloyloxy-pregn-4-ene-3,20-dione
Property Insights of 21-pivaloyloxy-pregn-4-ene-3,20-dione
The XLogP value of 6.5242 indicates that 21-pivaloyloxy-pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 21-pivaloyloxy-pregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-pivaloyloxy-pregn-4-ene-3,20-dione 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 21-pivaloyloxy-pregn-4-ene-3,20-dione?
The CAS number of 21-pivaloyloxy-pregn-4-ene-3,20-dione is 28227-36-3.
What is the molecular formula of 21-pivaloyloxy-pregn-4-ene-3,20-dione?
The molecular formula of 21-pivaloyloxy-pregn-4-ene-3,20-dione is C27H41NO.
What is the molecular weight of 21-pivaloyloxy-pregn-4-ene-3,20-dione?
The molecular weight of 21-pivaloyloxy-pregn-4-ene-3,20-dione is 395.32 g/mol.
Where can I buy 21-pivaloyloxy-pregn-4-ene-3,20-dione?
You can request a quote for 21-pivaloyloxy-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 21-pivaloyloxy-pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 21-pivaloyloxy-pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.