11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione
TL;DR: 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione (CAS 1171-81-9) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 16a-Hydroxycortisol, Budesonide Impurity 34, Budesonide impurity 41, 16alpha-Hydroxycortisol Impurity, 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 1171-81-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@H]([C@@]4(C(=O)CO)O)O)C)O |
| InChIKey | SQPRYYSTJMNHSK-ILNISADRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione (CAS 1171-81-9), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione
Property Insights of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione has 4 hydrogen bond donor(s) and 6 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 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione?
The CAS number of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione is 1171-81-9.
What is the molecular formula of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione?
The molecular formula of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione is C21H30O6.
What is the molecular weight of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione?
The molecular weight of 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione is 378.20 g/mol.
Where can I buy 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione?
You can request a quote for 11beta,16alpha,17,21-Tetrahydroxypregn-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 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 11beta,16alpha,17,21-Tetrahydroxypregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.