Pyrrol-1-ylboron
TL;DR: Pyrrol-1-ylboron (CAS 45376-40-7) is a chemical compound with molecular formula C4H4BN and molecular weight 77.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Pyrrol-1-ylboron, 1-pyrrolylborane, Pyrrol-1-yl-boran, (1-Pyrrolyl)borane, 1-Boryl-1H-pyrrole
| Molecular Formula | C4H4BN |
|---|---|
| Molecular Weight | 77.04 g/mol |
| LogP | 0.4197 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 77.04368 |
| Heavy Atoms | 6 |
| Complexity | 111.108505 |
Chemical Identifiers
| CAS Number | 45376-40-7 |
|---|---|
| SMILES | [B]N1C=CC=C1 |
Product Overview
Pyrrol-1-ylboron (CAS 45376-40-7), with molecular formula C4H4BN and molecular weight 77.04 g/mol.
Chemical Property Profile of Pyrrol-1-ylboron
Property Insights of Pyrrol-1-ylboron
The XLogP value of 0.4197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrol-1-ylboron. With a topological polar surface area (TPSA) of 4.93 Ų, Pyrrol-1-ylboron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrol-1-ylboron has 0 hydrogen bond donor(s) and 0 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 Pyrrol-1-ylboron?
The CAS number of Pyrrol-1-ylboron is 45376-40-7.
What is the molecular formula of Pyrrol-1-ylboron?
The molecular formula of Pyrrol-1-ylboron is C4H4BN.
What is the molecular weight of Pyrrol-1-ylboron?
The molecular weight of Pyrrol-1-ylboron is 77.04 g/mol.
Where can I buy Pyrrol-1-ylboron?
You can request a quote for Pyrrol-1-ylboron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrol-1-ylboron?
Yes, KEHONG BIO provides custom synthesis services for Pyrrol-1-ylboron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.