Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-
TL;DR: Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- (CAS 81089-17-0) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-, 17,21-Dihydroxy-16-methylpregnane-3,20-dione, 17,21-Dihydroxy-16alpha-methyl-5alpha-pregnane-3,20-dione, (5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one, (5S,8R,9S,10S,13S,14S,16R,17R)-17-HYDROXY-17-(2-HYDROXYACETYL)-10,13,1 6-TRIMETHYL-2,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]P HENANTHREN-3-ONE
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 81089-17-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)CO)O)C)C |
| InChIKey | DOMKOXUGRSATCY-ILTSXOTMSA-N |
Product Overview
Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- (CAS 81089-17-0), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-
Property Insights of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-
The XLogP value of 3.6 indicates that Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-. Following Lipinski's Rule of Five, Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- has 2 hydrogen bond donor(s) and 4 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 Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-?
The CAS number of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- is 81089-17-0.
What is the molecular formula of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-?
The molecular formula of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- is C22H34O4.
What is the molecular weight of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-?
The molecular weight of Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- is 362.25 g/mol.
Where can I buy Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-?
You can request a quote for Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Pregnane-3,20-dione, 17,21-dihydroxy-16-methyl-, (5alpha,16alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.