1-(4-Isocyanatophenyl)-1H-pyrrole
TL;DR: 1-(4-Isocyanatophenyl)-1H-pyrrole (CAS 857283-60-4) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-isocyanatophenyl)pyrrole
Also Known As: 1-(4-Isocyanatophenyl)-1H-pyrrole, 1-(4-isocyanatophenyl)pyrrole, 4-pyrrolylbenzenisocyanate, 1H-Pyrrole,1-(4-isocyanatophenyl)-, 1H-Pyrrole,1-(4-isocyanatophenyl)
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.4446 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 450.54257 |
Chemical Identifiers
| CAS Number | 857283-60-4 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)N=C=O |
Product Overview
1-(4-Isocyanatophenyl)-1H-pyrrole (CAS 857283-60-4), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 1-(4-isocyanatophenyl)pyrrole.
Chemical Property Profile of 1-(4-Isocyanatophenyl)-1H-pyrrole
Property Insights of 1-(4-Isocyanatophenyl)-1H-pyrrole
The XLogP value of 2.4446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Isocyanatophenyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 34.36 Ų, 1-(4-Isocyanatophenyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isocyanatophenyl)-1H-pyrrole has 0 hydrogen bond donor(s) and 2 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 1-(4-Isocyanatophenyl)-1H-pyrrole?
The CAS number of 1-(4-Isocyanatophenyl)-1H-pyrrole is 857283-60-4.
What is the molecular formula of 1-(4-Isocyanatophenyl)-1H-pyrrole?
The molecular formula of 1-(4-Isocyanatophenyl)-1H-pyrrole is C11H8N2O.
What is the molecular weight of 1-(4-Isocyanatophenyl)-1H-pyrrole?
The molecular weight of 1-(4-Isocyanatophenyl)-1H-pyrrole is 184.06 g/mol.
Where can I buy 1-(4-Isocyanatophenyl)-1H-pyrrole?
You can request a quote for 1-(4-Isocyanatophenyl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isocyanatophenyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isocyanatophenyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.