2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
TL;DR: 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile (CAS 451485-75-9) is a chemical compound with molecular formula C15H17N3O and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
Also Known As: 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile, 2-amino-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile, aminomethoxybenzyldimethylpyrrolecarbonitrile, 2-amino-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrole-3-carbonitrile, 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrol-3-yl cyanide
| Molecular Formula | C15H17N3O |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 2.61572 |
| Topological Polar Surface Area | 63.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.13716 |
| Heavy Atoms | 19 |
| Complexity | 632.8908 |
Chemical Identifiers
| CAS Number | 451485-75-9 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)N)CC2=CC=C(C=C2)OC)C |
Product Overview
2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile (CAS 451485-75-9), with molecular formula C15H17N3O and molecular weight 255.14 g/mol. IUPAC: 2-amino-1-[(4-methoxyphenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
Property Insights of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile
The XLogP value of 2.61572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile. The TPSA of 63.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile has 1 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 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The CAS number of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile is 451485-75-9.
What is the molecular formula of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile is C15H17N3O.
What is the molecular weight of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile is 255.14 g/mol.
Where can I buy 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(4-methoxybenzyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.