Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-
TL;DR: Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- (CAS 1323-45-1) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxypropanoyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Also Known As: Methylprednisone, Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-, Pregna-1,4-diene-3,11,20-trione,17,21-dihydroxymethyl, (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxypropanoyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione, (1S,3aS,3bS,9aR,9bS,11aS)-1-(Hydroxymethyl)-1-(3-hydroxypropanoyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 2.4035 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 794.8144 |
Chemical Identifiers
| CAS Number | 1323-45-1 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@]2(CO)C(=O)CCO)CCC4=CC(=O)C=C[C@]34C |
Product Overview
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- (CAS 1323-45-1), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-17-(3-hydroxypropanoyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-
Property Insights of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-
The XLogP value of 2.4035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-. Following Lipinski's Rule of Five, Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- has 2 hydrogen bond donor(s) and 5 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 Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-?
The CAS number of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- is 1323-45-1.
What is the molecular formula of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-?
The molecular formula of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- is C23H30O5.
What is the molecular weight of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-?
The molecular weight of Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- is 386.21 g/mol.
Where can I buy Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-?
You can request a quote for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxymethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.