6b-Hydroxy-21-desacetyl Deflazacort
TL;DR: 6b-Hydroxy-21-desacetyl Deflazacort (CAS 87539-45-5) is a chemical compound with molecular formula C23H29NO6 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,19-dihydroxy-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: 6b-Hydroxy-21-desacetyl Deflazacort, 6 -Hydroxy-21-desacetyl Deflazacort, (6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, (6a,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, (6.beta.,11.beta.,16.beta.)-6,11,21-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazolo-3,20-dione
| Molecular Formula | C23H29NO6 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.1995 |
| Heavy Atoms | 30 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 87539-45-5 |
|---|---|
| SMILES | CC1=NC2(C(O1)CC3C2(CC(C4C3CC(C5=CC(=O)C=CC45C)O)O)C)C(=O)CO |
| InChIKey | GUUSJROCWMOQNZ-UHFFFAOYSA-N |
Product Overview
6b-Hydroxy-21-desacetyl Deflazacort (CAS 87539-45-5), with molecular formula C23H29NO6 and molecular weight 415.20 g/mol. IUPAC: 11,19-dihydroxy-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 6b-Hydroxy-21-desacetyl Deflazacort
Property Insights of 6b-Hydroxy-21-desacetyl Deflazacort
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6b-Hydroxy-21-desacetyl Deflazacort. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6b-Hydroxy-21-desacetyl Deflazacort. Following Lipinski's Rule of Five, 6b-Hydroxy-21-desacetyl Deflazacort has 3 hydrogen bond donor(s) and 7 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 6b-Hydroxy-21-desacetyl Deflazacort?
The CAS number of 6b-Hydroxy-21-desacetyl Deflazacort is 87539-45-5.
What is the molecular formula of 6b-Hydroxy-21-desacetyl Deflazacort?
The molecular formula of 6b-Hydroxy-21-desacetyl Deflazacort is C23H29NO6.
What is the molecular weight of 6b-Hydroxy-21-desacetyl Deflazacort?
The molecular weight of 6b-Hydroxy-21-desacetyl Deflazacort is 415.20 g/mol.
Where can I buy 6b-Hydroxy-21-desacetyl Deflazacort?
You can request a quote for 6b-Hydroxy-21-desacetyl Deflazacort directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6b-Hydroxy-21-desacetyl Deflazacort?
Yes, KEHONG BIO provides custom synthesis services for 6b-Hydroxy-21-desacetyl Deflazacort and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.