N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide
TL;DR: N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide (CAS 865658-10-2) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enyl-4-pyrrol-1-ylbenzamide
Also Known As: N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide, N-allyl-4-pyrrol-1-yl-benzamide, N-prop-2-enyl-4-pyrrol-1-ylbenzamide, N-(prop-2-en-1-yl)-4-(1H-pyrrol-1-yl)benzamide, N-prop-2-enyl-4-pyrrol-1-yl-benzamide
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 2.3931 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 497.5283 |
Chemical Identifiers
| CAS Number | 865658-10-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC=C(C=C1)N2C=CC=C2 |
Product Overview
N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide (CAS 865658-10-2), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: N-prop-2-enyl-4-pyrrol-1-ylbenzamide.
Chemical Property Profile of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide
Property Insights of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide
The XLogP value of 2.3931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide. With a topological polar surface area (TPSA) of 34.03 Ų, N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide 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-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide?
The CAS number of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide is 865658-10-2.
What is the molecular formula of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide?
The molecular formula of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide is C14H14N2O.
What is the molecular weight of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide?
The molecular weight of N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide is 226.11 g/mol.
Where can I buy N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide?
You can request a quote for N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-(1H-pyrrol-1-yl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.