3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile
TL;DR: 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile (CAS 6306-19-0) is a chemical compound with molecular formula C11H12ClNO and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile
Also Known As: 3-chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile, 3-CHLORO-2-HYDROXY-3-METHYL-2-PHENYL-BUTANENITRILE, Benzeneacetonitrile, a-(1-chloro-1-methylethyl)-a-hydroxy-
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 6306-19-0 |
|---|---|
| SMILES | CC(C)(C(C#N)(C1=CC=CC=C1)O)Cl |
| InChIKey | KRFFPUFUNKKAIV-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile (CAS 6306-19-0), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 3-chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile.
Chemical Property Profile of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile
Property Insights of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile 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 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile?
The CAS number of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile is 6306-19-0.
What is the molecular formula of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile?
The molecular formula of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile is C11H12ClNO.
What is the molecular weight of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile?
The molecular weight of 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile is 209.06 g/mol.
Where can I buy 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile?
You can request a quote for 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-hydroxy-3-methyl-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.