3-Hydroxy-4-methoxybutanenitrile
TL;DR: 3-Hydroxy-4-methoxybutanenitrile (CAS 13635-03-5) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methoxybutanenitrile
Also Known As: 3-hydroxy-4-methoxybutanenitrile
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 13635-03-5 |
|---|---|
| SMILES | COCC(CC#N)O |
| InChIKey | VINMGQFONSAFIQ-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-4-methoxybutanenitrile (CAS 13635-03-5), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-hydroxy-4-methoxybutanenitrile.
Chemical Property Profile of 3-Hydroxy-4-methoxybutanenitrile
Property Insights of 3-Hydroxy-4-methoxybutanenitrile
The XLogP value of -0.8 indicates that 3-Hydroxy-4-methoxybutanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.3 Ų, 3-Hydroxy-4-methoxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-methoxybutanenitrile 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 3-Hydroxy-4-methoxybutanenitrile?
The CAS number of 3-Hydroxy-4-methoxybutanenitrile is 13635-03-5.
What is the molecular formula of 3-Hydroxy-4-methoxybutanenitrile?
The molecular formula of 3-Hydroxy-4-methoxybutanenitrile is C5H9NO2.
What is the molecular weight of 3-Hydroxy-4-methoxybutanenitrile?
The molecular weight of 3-Hydroxy-4-methoxybutanenitrile is 115.06 g/mol.
Where can I buy 3-Hydroxy-4-methoxybutanenitrile?
You can request a quote for 3-Hydroxy-4-methoxybutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methoxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methoxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.