9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
TL;DR: 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS 4419-39-0) is a chemical compound with molecular formula C22H29ClO5 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: beclomethasone, Beclometasone, 9.alpha.-Chloro-16.beta.-methylprednisolone, BRD-A73385064-001-01-5, 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
| Molecular Formula | C22H29ClO5 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.17035 |
| Heavy Atoms | 28 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 4419-39-0 |
|---|---|
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C |
| InChIKey | NBMKJKDGKREAPL-UHFFFAOYSA-N |
Product Overview
9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS 4419-39-0), with molecular formula C22H29ClO5 and molecular weight 408.17 g/mol. IUPAC: 9-chloro-11,17-dihydroxy-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-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
Property Insights of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione has 3 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 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The CAS number of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione is 4419-39-0.
What is the molecular formula of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The molecular formula of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione is C22H29ClO5.
What is the molecular weight of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione?
The molecular weight of 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione is 408.17 g/mol.
Where can I buy 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione?
You can request a quote for 9-Chloro-11,17,21-trihydroxy-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-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.