20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol
TL;DR: 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol (CAS 142785-61-3) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,10R,13S,14R,17S)-17-[1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Also Known As: HMBOP, 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol, 20-(3-Hydroxy-3-methylbutyloxy)pregna-5,7-diene-1,3-diol, 20(S)-(3-Hydroxy-3-methylbutyloxy)pregna-5,7-diene-1alpha,3beta-diol, 20-(3-Hydroxy-3-methylbutyloxy)-(2beta-(3)H)pregna-5,7-diene-1,3-diol
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 142785-61-3 |
|---|---|
| SMILES | CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(C(CC(C4)O)O)C)C)OCCC(C)(C)O |
| InChIKey | DUZLDPYKMSNPLT-SVCKCIGASA-N |
Product Overview
20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol (CAS 142785-61-3), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: (9S,10R,13S,14R,17S)-17-[1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol.
Chemical Property Profile of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol
Property Insights of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol
The XLogP value of 3.6 indicates that 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol. Following Lipinski's Rule of Five, 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol has 3 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 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol?
The CAS number of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol is 142785-61-3.
What is the molecular formula of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol?
The molecular formula of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol is C26H42O4.
What is the molecular weight of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol?
The molecular weight of 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol is 418.31 g/mol.
Where can I buy 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol?
You can request a quote for 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 20-(3-Hydroxy-3-methylbutoxy)pregna-5,7-diene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.