2-Nitrilophenoxypropanolamine
TL;DR: 2-Nitrilophenoxypropanolamine (CAS 43159-56-4) is a chemical compound with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-2-hydroxypropoxy)benzonitrile;hydrochloride
Also Known As: 2-Nitrilophenoxypropanolamine, Benzonitrile, 2-(3-amino-2-hydroxypropoxy)-, monohydrochloride, 2-(3-amino-2-hydroxypropoxy)benzonitrile;hydrochloride, 2-(3-amino-2-hydroxypropoxy)benzonitrile hydrochloride, 2-(3-Amino-2-hydroxypropoxy)benzonitrile--hydrogen chloride (1/1)
| Molecular Formula | C10H13ClN2O2 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 0.67848 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06656 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 43159-56-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OCC(CN)O.Cl |
| InChIKey | FNTWZFJKTVCXRG-UHFFFAOYSA-N |
Product Overview
2-Nitrilophenoxypropanolamine (CAS 43159-56-4), with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol. IUPAC: 2-(3-amino-2-hydroxypropoxy)benzonitrile;hydrochloride.
Chemical Property Profile of 2-Nitrilophenoxypropanolamine
Property Insights of 2-Nitrilophenoxypropanolamine
The XLogP value of 0.67848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrilophenoxypropanolamine. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrilophenoxypropanolamine. Following Lipinski's Rule of Five, 2-Nitrilophenoxypropanolamine has 3 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-Nitrilophenoxypropanolamine?
The CAS number of 2-Nitrilophenoxypropanolamine is 43159-56-4.
What is the molecular formula of 2-Nitrilophenoxypropanolamine?
The molecular formula of 2-Nitrilophenoxypropanolamine is C10H13ClN2O2.
What is the molecular weight of 2-Nitrilophenoxypropanolamine?
The molecular weight of 2-Nitrilophenoxypropanolamine is 228.07 g/mol.
Where can I buy 2-Nitrilophenoxypropanolamine?
You can request a quote for 2-Nitrilophenoxypropanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrilophenoxypropanolamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrilophenoxypropanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.