Allotetrahydrocortisone
TL;DR: Allotetrahydrocortisone (CAS 547-77-3) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: Allotetrahydrocortisone, 11-dehydro c, 5-Dihydrocorticosterone, ALLO THE, TETRAHYDROCORTISONE
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 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 | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 547-77-3 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O |
| InChIKey | SYGWGHVTLUBCEM-TUJFWAKLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allotetrahydrocortisone (CAS 547-77-3), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: (3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Allotetrahydrocortisone
Property Insights of Allotetrahydrocortisone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allotetrahydrocortisone. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Allotetrahydrocortisone. Following Lipinski's Rule of Five, Allotetrahydrocortisone 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 Allotetrahydrocortisone?
The CAS number of Allotetrahydrocortisone is 547-77-3.
What is the molecular formula of Allotetrahydrocortisone?
The molecular formula of Allotetrahydrocortisone is C21H32O5.
What is the molecular weight of Allotetrahydrocortisone?
The molecular weight of Allotetrahydrocortisone is 364.22 g/mol.
Where can I buy Allotetrahydrocortisone?
You can request a quote for Allotetrahydrocortisone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allotetrahydrocortisone?
Yes, KEHONG BIO provides custom synthesis services for Allotetrahydrocortisone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.