布诺洛尔
TL;DR: 布诺洛尔 (CAS 27591-01-1) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布诺洛尔
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Bunolol, Bunololo, Bunololum, LEVOBUNOLOL, Bunolol [INN]
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 27591-01-1 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O |
| InChIKey | IXHBTMCLRNMKHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布诺洛尔 (CAS 27591-01-1), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 布诺洛尔
Property Insights of 布诺洛尔
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 布诺洛尔. With a topological polar surface area (TPSA) of 58.6 Ų, 布诺洛尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Bunolol 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 (+-)-Bunolol?
The CAS number of (+-)-Bunolol is 27591-01-1.
What is the molecular formula of (+-)-Bunolol?
The molecular formula of (+-)-Bunolol is C17H25NO3.
What is the molecular weight of (+-)-Bunolol?
The molecular weight of (+-)-Bunolol is 291.18 g/mol.
Where can I buy (+-)-Bunolol?
You can request a quote for (+-)-Bunolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Bunolol?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Bunolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.