2-Hydroxy-2-propylvaleronitrile
TL;DR: 2-Hydroxy-2-propylvaleronitrile (CAS 5699-74-1) is a chemical compound with molecular formula C8H15NO and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-propylpentanenitrile
Also Known As: 2-Hydroxy-2-propylvaleronitrile, 2-hydroxy-2-propylpentanenitrile, 2-Hydroxy-2-propyl-valeronitrile, Pentanenitrile,2-hydroxy-2-propyl-, Valeronitrile, 2-hydroxy-2-propyl-
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 5699-74-1 |
|---|---|
| SMILES | CCCC(CCC)(C#N)O |
| InChIKey | YYZBOCPIORDHRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2-propylvaleronitrile (CAS 5699-74-1), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: 2-hydroxy-2-propylpentanenitrile.
Chemical Property Profile of 2-Hydroxy-2-propylvaleronitrile
Property Insights of 2-Hydroxy-2-propylvaleronitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-propylvaleronitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxy-2-propylvaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-propylvaleronitrile has 1 hydrogen bond donor(s) and 2 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 2-Hydroxy-2-propylvaleronitrile?
The CAS number of 2-Hydroxy-2-propylvaleronitrile is 5699-74-1.
What is the molecular formula of 2-Hydroxy-2-propylvaleronitrile?
The molecular formula of 2-Hydroxy-2-propylvaleronitrile is C8H15NO.
What is the molecular weight of 2-Hydroxy-2-propylvaleronitrile?
The molecular weight of 2-Hydroxy-2-propylvaleronitrile is 141.12 g/mol.
Where can I buy 2-Hydroxy-2-propylvaleronitrile?
You can request a quote for 2-Hydroxy-2-propylvaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-propylvaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-propylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.