Cyclohexaneacetonitrile, 2-hydroxy-, trans-
TL;DR: Cyclohexaneacetonitrile, 2-hydroxy-, trans- (CAS 74708-25-1) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,2R)-2-hydroxycyclohexyl]acetonitrile
Also Known As: 2-[(1S,2R)-2-hydroxycyclohexyl]acetonitrile, Cyclohexaneacetonitrile, 2-hydroxy-, trans-, 2-(2-hydroxycyclohexyl)acetonitrile, rac-2-[(1R,2S)-2-hydroxycyclohexyl]acetonitrile, 2-[trans-2-hydroxycyclohexyl]acetonitrile
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 74708-25-1 |
|---|---|
| SMILES | C1CC[C@H]([C@@H](C1)CC#N)O |
| InChIKey | GAFNITUKNVGWAR-JGVFFNPUSA-N |
Product Overview
Cyclohexaneacetonitrile, 2-hydroxy-, trans- (CAS 74708-25-1), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 2-[(1S,2R)-2-hydroxycyclohexyl]acetonitrile.
Chemical Property Profile of Cyclohexaneacetonitrile, 2-hydroxy-, trans-
Property Insights of Cyclohexaneacetonitrile, 2-hydroxy-, trans-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetonitrile, 2-hydroxy-, trans-. With a topological polar surface area (TPSA) of 44.0 Ų, Cyclohexaneacetonitrile, 2-hydroxy-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetonitrile, 2-hydroxy-, trans- 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 Cyclohexaneacetonitrile, 2-hydroxy-, trans-?
The CAS number of Cyclohexaneacetonitrile, 2-hydroxy-, trans- is 74708-25-1.
What is the molecular formula of Cyclohexaneacetonitrile, 2-hydroxy-, trans-?
The molecular formula of Cyclohexaneacetonitrile, 2-hydroxy-, trans- is C8H13NO.
What is the molecular weight of Cyclohexaneacetonitrile, 2-hydroxy-, trans-?
The molecular weight of Cyclohexaneacetonitrile, 2-hydroxy-, trans- is 139.10 g/mol.
Where can I buy Cyclohexaneacetonitrile, 2-hydroxy-, trans-?
You can request a quote for Cyclohexaneacetonitrile, 2-hydroxy-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetonitrile, 2-hydroxy-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetonitrile, 2-hydroxy-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.