21-Deacetyldeflazacort
TL;DR: 21-Deacetyldeflazacort (CAS 13649-57-5) is a chemical compound with molecular formula C23H29NO5 and molecular weight 399.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
Also Known As: 21-Deacetyldeflazacort, 21-Desacetyl Deflazacort, (11.beta.,16.beta.)-11,21-Dihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazolo-3,20-dione, 6b-Glycoloyl-5-hydroxy-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one #
| Molecular Formula | C23H29NO5 |
|---|---|
| Molecular Weight | 399.20 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.20456 |
| Heavy Atoms | 29 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 13649-57-5 |
|---|---|
| SMILES | CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)CO |
| InChIKey | KENSGCYKTRNIST-UHFFFAOYSA-N |
Product Overview
21-Deacetyldeflazacort (CAS 13649-57-5), with molecular formula C23H29NO5 and molecular weight 399.20 g/mol. IUPAC: 11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one.
Chemical Property Profile of 21-Deacetyldeflazacort
Property Insights of 21-Deacetyldeflazacort
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Deacetyldeflazacort. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-Deacetyldeflazacort. Following Lipinski's Rule of Five, 21-Deacetyldeflazacort has 2 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 21-Deacetyldeflazacort?
The CAS number of 21-Deacetyldeflazacort is 13649-57-5.
What is the molecular formula of 21-Deacetyldeflazacort?
The molecular formula of 21-Deacetyldeflazacort is C23H29NO5.
What is the molecular weight of 21-Deacetyldeflazacort?
The molecular weight of 21-Deacetyldeflazacort is 399.20 g/mol.
Where can I buy 21-Deacetyldeflazacort?
You can request a quote for 21-Deacetyldeflazacort directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Deacetyldeflazacort?
Yes, KEHONG BIO provides custom synthesis services for 21-Deacetyldeflazacort and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.