5-amino-1-benzyl-1H-pyrrole-3-carbonitrile
TL;DR: 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile (CAS 59661-30-2) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-benzylpyrrole-3-carbonitrile
Also Known As: 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile, 5-amino-1-benzylpyrrole-3-carbonitrile, 2-amino-1-benzyl-4-cyanopyrrole, 5-amino-1-benzyl-pyrrole-3-carbonitrile, 1-Benzyl-5-amino-1H-pyrrole-3-carbonitrile
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 1.99028 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 491.33093 |
Chemical Identifiers
| CAS Number | 59661-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=C2N)C#N |
Product Overview
5-amino-1-benzyl-1H-pyrrole-3-carbonitrile (CAS 59661-30-2), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 5-amino-1-benzylpyrrole-3-carbonitrile.
Chemical Property Profile of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile
Property Insights of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile
The XLogP value of 1.99028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile. With a topological polar surface area (TPSA) of 54.74 Ų, 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile has 1 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 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile?
The CAS number of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile is 59661-30-2.
What is the molecular formula of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile is C12H11N3.
What is the molecular weight of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile is 197.10 g/mol.
Where can I buy 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 5-amino-1-benzyl-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 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-benzyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.