1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-
TL;DR: 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- (CAS 95792-10-2) is a chemical compound with molecular formula C16H14N4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
Also Known As: 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-, 1-N,4-N-bis(pyrrol-2-ylidenemethyl)benzene-1,4-diamine, N,N -(1,4-Phenylene)bis(1H-pyrrole-2-methaneimine), A1855/0078095, N,N -Bis(1H-pyrrole-2-ylmethylene)-p-phenylenediamine
| Molecular Formula | C16H14N4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.12186 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 95792-10-2 |
|---|---|
| SMILES | C1=CNC(=C1)C=NC2=CC=C(C=C2)N=CC3=CC=CN3 |
| InChIKey | VJGIDPMSVFBNBQ-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- (CAS 95792-10-2), with molecular formula C16H14N4 and molecular weight 262.12 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine.
Chemical Property Profile of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-
Property Insights of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-. With a topological polar surface area (TPSA) of 56.3 Ų, 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- has 2 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-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-?
The CAS number of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- is 95792-10-2.
What is the molecular formula of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-?
The molecular formula of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- is C16H14N4.
What is the molecular weight of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-?
The molecular weight of 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- is 262.12 g/mol.
Where can I buy 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-?
You can request a quote for 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.