((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate
TL;DR: ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate (CAS 94386-34-2) is a chemical compound with molecular formula C25H43NO3 and molecular weight 405.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,6R,9R,13S,16S,18S)-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-yl]-dimethylazanium acetate
Also Known As: EINECS 305-255-4, ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate, [(5alpha)-18,20(R)-epoxypregnan-3beta-yl]dimethylammonium acetate
| Molecular Formula | C25H43NO3 |
|---|---|
| Molecular Weight | 405.32 g/mol |
| LogP | 2.3134 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 405.32428 |
| Heavy Atoms | 29 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 94386-34-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CCC3[C@@]2(CCC4C3CC[C@@H]5[C@@]4(CC[C@@H](C5)[NH+](C)C)C)CO1.CC(=O)[O-] |
| InChIKey | NHKJAIVPHGJKJE-OTSRDOKXSA-N |
Product Overview
((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate (CAS 94386-34-2), with molecular formula C25H43NO3 and molecular weight 405.32 g/mol. IUPAC: [(5S,6R,9R,13S,16S,18S)-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosan-16-yl]-dimethylazanium acetate.
Chemical Property Profile of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate
Property Insights of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate
The XLogP value of 2.3134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate. With a topological polar surface area (TPSA) of 53.8 Ų, ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate 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 ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate?
The CAS number of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate is 94386-34-2.
What is the molecular formula of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate?
The molecular formula of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate is C25H43NO3.
What is the molecular weight of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate?
The molecular weight of ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate is 405.32 g/mol.
Where can I buy ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate?
You can request a quote for ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate?
Yes, KEHONG BIO provides custom synthesis services for ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.