Phenyl-n-butylborinic acid
TL;DR: Phenyl-n-butylborinic acid (CAS 100757-73-1) is a chemical compound with molecular formula C10H14BO and molecular weight 161.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: PNBBA, Phenyl-n-butylborinic acid, hydroxy(4-phenylbutyl)boron, Borinic acid,B-butyl-B-phenyl-
| Molecular Formula | C10H14BO |
|---|---|
| Molecular Weight | 161.11 g/mol |
| LogP | 2.0391 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.11377 |
| Heavy Atoms | 12 |
| Complexity | 198.25337 |
Chemical Identifiers
| CAS Number | 100757-73-1 |
|---|---|
| SMILES | [B](CCCCC1=CC=CC=C1)O |
Product Overview
Phenyl-n-butylborinic acid (CAS 100757-73-1), with molecular formula C10H14BO and molecular weight 161.11 g/mol.
Chemical Property Profile of Phenyl-n-butylborinic acid
Property Insights of Phenyl-n-butylborinic acid
The XLogP value of 2.0391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-n-butylborinic acid. With a topological polar surface area (TPSA) of 20.23 Ų, Phenyl-n-butylborinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-n-butylborinic acid has 1 hydrogen bond donor(s) and 1 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 Phenyl-n-butylborinic acid?
The CAS number of Phenyl-n-butylborinic acid is 100757-73-1.
What is the molecular formula of Phenyl-n-butylborinic acid?
The molecular formula of Phenyl-n-butylborinic acid is C10H14BO.
What is the molecular weight of Phenyl-n-butylborinic acid?
The molecular weight of Phenyl-n-butylborinic acid is 161.11 g/mol.
Where can I buy Phenyl-n-butylborinic acid?
You can request a quote for Phenyl-n-butylborinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-n-butylborinic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-n-butylborinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.