Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
TL;DR: Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine (CAS 5311-42-2) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine
Also Known As: Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine, BIM-0016823.P001, oxalic acid;N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine, oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine, Oxalic acid--N-[(1-phenyl-1H-pyrrol-2-yl)methyl]prop-2-en-1-amine (1/1)
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.9085 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 5311-42-2 |
|---|---|
| SMILES | C=CCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | NXBPZKQBKMVRJX-UHFFFAOYSA-N |
Product Overview
Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine (CAS 5311-42-2), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: oxalic acid;N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine.
Chemical Property Profile of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
Property Insights of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
The XLogP value of 1.9085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine. Following Lipinski's Rule of Five, Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine has 3 hydrogen bond donor(s) and 5 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 Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine?
The CAS number of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine is 5311-42-2.
What is the molecular formula of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine?
The molecular formula of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine is C16H18N2O4.
What is the molecular weight of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine?
The molecular weight of Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine is 302.13 g/mol.
Where can I buy Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine?
You can request a quote for Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.