21-脱氧皮质酮
TL;DR: 21-脱氧皮质酮 (CAS 600-57-7) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-脱氧皮质酮
(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 11beta-Hydroxyprogesterone, 21-Deoxycorticosterone, 11-Hydroxyprogesterone, 11, A-hydroxyprogesterone
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 600-57-7 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | BFZHCUBIASXHPK-ATWVFEABSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-脱氧皮质酮 (CAS 600-57-7), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 21-脱氧皮质酮
Property Insights of 21-脱氧皮质酮
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-脱氧皮质酮. With a topological polar surface area (TPSA) of 54.4 Ų, 21-脱氧皮质酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-脱氧皮质酮 has 1 hydrogen bond donor(s) and 3 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-脱氧皮质酮?
The CAS number of 21-脱氧皮质酮 is 600-57-7.
What is the molecular formula of 21-脱氧皮质酮?
The molecular formula of 21-脱氧皮质酮 is C21H30O3.
What is the molecular weight of 21-脱氧皮质酮?
The molecular weight of 21-脱氧皮质酮 is 330.22 g/mol.
Where can I buy 21-脱氧皮质酮?
You can request a quote for 21-脱氧皮质酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-脱氧皮质酮?
Yes, KEHONG BIO provides custom synthesis services for 21-脱氧皮质酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.