![N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine structure](/static/products/913/91397-86-3.png)
N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine
TL;DR: N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine (CAS 91397-86-3) is a chemical compound with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine
Also Known As: (4-chloro-benzyl)-pyrrol-2-ylmethylene-amine, J3.731.344K, 1-(4-chlorophenyl)-N-[(Z)-pyrrol-2-ylidenemethyl]methanamine, [(4-chlorophenyl)methyl](1H-pyrrol-2-ylmethylidene)amine, [(4-chlorophenyl)methyl][(1H-pyrrol-2-yl)methylidene]amine
| Molecular Formula | C12H11ClN2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06108 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 91397-86-3 |
|---|---|
| SMILES | C1=CNC(=C1)C=NCC2=CC=C(C=C2)Cl |
| InChIKey | GNWLVBTXUFHKIQ-UHFFFAOYSA-N |
Product Overview
N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine (CAS 91397-86-3), with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine
Property Insights of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine. With a topological polar surface area (TPSA) of 28.2 Ų, N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine 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 N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine?
The CAS number of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine is 91397-86-3.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine?
The molecular formula of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine is C12H11ClN2.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine?
The molecular weight of N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine is 218.06 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine?
You can request a quote for N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-1-(1H-pyrrol-2-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.