21-Hydroxypregna-1,4-diene-3,20-dione
TL;DR: 21-Hydroxypregna-1,4-diene-3,20-dione (CAS 6336-72-7) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4-thiazolidin-2-yl-pyridine, 21-hydroxypregna-1,4-diene-3,20-dione, (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one, 17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 6336-72-7 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)C=CC34C |
| InChIKey | ZDYFFPNLCUDFDB-UHFFFAOYSA-N |
Product Overview
21-Hydroxypregna-1,4-diene-3,20-dione (CAS 6336-72-7), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 21-Hydroxypregna-1,4-diene-3,20-dione
Property Insights of 21-Hydroxypregna-1,4-diene-3,20-dione
The XLogP value of 3.1 indicates that 21-Hydroxypregna-1,4-diene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 21-Hydroxypregna-1,4-diene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Hydroxypregna-1,4-diene-3,20-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-Hydroxypregna-1,4-diene-3,20-dione?
The CAS number of 21-Hydroxypregna-1,4-diene-3,20-dione is 6336-72-7.
What is the molecular formula of 21-Hydroxypregna-1,4-diene-3,20-dione?
The molecular formula of 21-Hydroxypregna-1,4-diene-3,20-dione is C21H28O3.
What is the molecular weight of 21-Hydroxypregna-1,4-diene-3,20-dione?
The molecular weight of 21-Hydroxypregna-1,4-diene-3,20-dione is 328.20 g/mol.
Where can I buy 21-Hydroxypregna-1,4-diene-3,20-dione?
You can request a quote for 21-Hydroxypregna-1,4-diene-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-Hydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.