(4-((Propylthio)methyl)phenyl)boronic acid
TL;DR: (4-((Propylthio)methyl)phenyl)boronic acid (CAS 478357-55-0) is a chemical compound with molecular formula C10H15BO2S and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(propylsulfanylmethyl)phenyl]boronic acid
Also Known As: (4-((Propylthio)methyl)phenyl)boronic acid, [4-(propylsulfanylmethyl)phenyl]boronic Acid
| Molecular Formula | C10H15BO2S |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.0096 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.08858 |
| Heavy Atoms | 14 |
| Complexity | 261.32944 |
Chemical Identifiers
| CAS Number | 478357-55-0 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)CSCCC)(O)O |
Product Overview
(4-((Propylthio)methyl)phenyl)boronic acid (CAS 478357-55-0), with molecular formula C10H15BO2S and molecular weight 210.09 g/mol. IUPAC: [4-(propylsulfanylmethyl)phenyl]boronic acid.
Chemical Property Profile of (4-((Propylthio)methyl)phenyl)boronic acid
Property Insights of (4-((Propylthio)methyl)phenyl)boronic acid
The XLogP value of 1.0096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-((Propylthio)methyl)phenyl)boronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, (4-((Propylthio)methyl)phenyl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-((Propylthio)methyl)phenyl)boronic acid has 2 hydrogen bond donor(s) and 3 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 (4-((Propylthio)methyl)phenyl)boronic acid?
The CAS number of (4-((Propylthio)methyl)phenyl)boronic acid is 478357-55-0.
What is the molecular formula of (4-((Propylthio)methyl)phenyl)boronic acid?
The molecular formula of (4-((Propylthio)methyl)phenyl)boronic acid is C10H15BO2S.
What is the molecular weight of (4-((Propylthio)methyl)phenyl)boronic acid?
The molecular weight of (4-((Propylthio)methyl)phenyl)boronic acid is 210.09 g/mol.
Where can I buy (4-((Propylthio)methyl)phenyl)boronic acid?
You can request a quote for (4-((Propylthio)methyl)phenyl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-((Propylthio)methyl)phenyl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-((Propylthio)methyl)phenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.