布尼洛尔
TL;DR: 布尼洛尔 (CAS 34915-68-9) 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.
布尼洛尔
2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
Also Known As: Bunitrolol, Bunitrololum, Stresson, Bunitrolol [INN], dl-Bunitrolol
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 34915-68-9 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C#N)O |
| InChIKey | VCVQSRCYSKKPBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布尼洛尔 (CAS 34915-68-9), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile.
Chemical Property Profile of 布尼洛尔
Property Insights of 布尼洛尔
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 布尼洛尔. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 布尼洛尔. Following Lipinski's Rule of Five, 布尼洛尔 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 布尼洛尔?
The CAS number of 布尼洛尔 is 34915-68-9.
What is the molecular formula of 布尼洛尔?
The molecular formula of 布尼洛尔 is C14H20N2O2.
What is the molecular weight of 布尼洛尔?
The molecular weight of 布尼洛尔 is 248.15 g/mol.
Where can I buy 布尼洛尔?
You can request a quote for 布尼洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布尼洛尔?
Yes, KEHONG BIO provides custom synthesis services for 布尼洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.