9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
TL;DR: 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS 61339-42-2) is a chemical compound with molecular formula C22H28Br2O4 and molecular weight 514.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: EINECS 262-722-4, 9,17-Dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione, (9xi)-9,17-Dibromo-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, (8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H28Br2O4 |
|---|---|
| Molecular Weight | 514.04 g/mol |
| LogP | 3.7237 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 514.0354 |
| Heavy Atoms | 28 |
| Complexity | 806.35846 |
Chemical Identifiers
| CAS Number | 61339-42-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)CO)Br)C)O)Br)C |
Product Overview
9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS 61339-42-2), with molecular formula C22H28Br2O4 and molecular weight 514.04 g/mol. IUPAC: (8S,10S,11S,13S,14S,16R,17R)-9,17-dibromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Property Insights of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
The XLogP value of 3.7237 indicates that 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione 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 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The CAS number of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione is 61339-42-2.
What is the molecular formula of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The molecular formula of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione is C22H28Br2O4.
What is the molecular weight of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The molecular weight of 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione is 514.04 g/mol.
Where can I buy 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione?
You can request a quote for 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-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 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9,17-Dibromo-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.