Pregnane-2,2,3,3-tetrol
TL;DR: Pregnane-2,2,3,3-tetrol (CAS 94331-32-5) is a chemical compound with molecular formula C21H36O4 and molecular weight 352.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,2,3,3-tetrol
Also Known As: Pregnanetetrol, pregnane-2,2,3,3-tetrol, (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,2,3,3-tetrol
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 94331-32-5 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC(C(C4)(O)O)(O)O)C)C |
| InChIKey | ZUHCTVQQGFQGSP-OAGGQNOISA-N |
Product Overview
Pregnane-2,2,3,3-tetrol (CAS 94331-32-5), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,2,3,3-tetrol.
Chemical Property Profile of Pregnane-2,2,3,3-tetrol
Property Insights of Pregnane-2,2,3,3-tetrol
The XLogP value of 4.2 indicates that Pregnane-2,2,3,3-tetrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnane-2,2,3,3-tetrol. Following Lipinski's Rule of Five, Pregnane-2,2,3,3-tetrol has 4 hydrogen bond donor(s) and 4 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 Pregnane-2,2,3,3-tetrol?
The CAS number of Pregnane-2,2,3,3-tetrol is 94331-32-5.
What is the molecular formula of Pregnane-2,2,3,3-tetrol?
The molecular formula of Pregnane-2,2,3,3-tetrol is C21H36O4.
What is the molecular weight of Pregnane-2,2,3,3-tetrol?
The molecular weight of Pregnane-2,2,3,3-tetrol is 352.26 g/mol.
Where can I buy Pregnane-2,2,3,3-tetrol?
You can request a quote for Pregnane-2,2,3,3-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnane-2,2,3,3-tetrol?
Yes, KEHONG BIO provides custom synthesis services for Pregnane-2,2,3,3-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.