(3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile
TL;DR: (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile (CAS 88557-55-5) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile
Also Known As: (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile, I14-34149, Butanenitrile, 3-methyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3S)-
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 2.07938 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 170.25378 |
Chemical Identifiers
| CAS Number | 88557-55-5 |
|---|---|
| SMILES | C[C@@H](CC#N)COC1CCCCO1 |
Product Overview
(3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile (CAS 88557-55-5), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile.
Chemical Property Profile of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile
Property Insights of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile
The XLogP value of 2.07938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile. With a topological polar surface area (TPSA) of 42.25 Ų, (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile has 0 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 (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile?
The CAS number of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile is 88557-55-5.
What is the molecular formula of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile?
The molecular formula of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile is C10H17NO2.
What is the molecular weight of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile?
The molecular weight of (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile is 183.13 g/mol.
Where can I buy (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile?
You can request a quote for (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-methyl-4-(oxan-2-yloxy)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.