2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile
TL;DR: 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile (CAS 29277-73-4) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetonitrile
Also Known As: Atenolol EP Impurity H, Atenolol Impurity H, (Atenolol Impurity H)"", tert-Butyl-dimethyl-sulfonium, 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 29277-73-4 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC#N)O |
| InChIKey | VGJIPAKCLDHBAL-UHFFFAOYSA-N |
Product Overview
2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile (CAS 29277-73-4), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetonitrile.
Chemical Property Profile of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile
Property Insights of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile has 2 hydrogen bond donor(s) and 4 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-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile?
The CAS number of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile is 29277-73-4.
What is the molecular formula of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile?
The molecular formula of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile is C14H20N2O2.
What is the molecular weight of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile?
The molecular weight of 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile is 248.15 g/mol.
Where can I buy 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile?
You can request a quote for 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-Hydroxy-3-(isopropylamino)-propoxy)phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.