(2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide
TL;DR: (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide (CAS 5363-09-7) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide
Also Known As: BAS 00568846, AB00083057-01, AE-641/10393062, (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide, N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)acrylamide
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 5363-09-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl |
| InChIKey | GJJZTJMFTHLUPC-VMPITWQZSA-N |
Product Overview
(2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide (CAS 5363-09-7), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: (E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide
Property Insights of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide
The XLogP value of 3.6 indicates that (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide 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 (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide?
The CAS number of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide is 5363-09-7.
What is the molecular formula of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide?
The molecular formula of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide is C16H12ClNO3.
What is the molecular weight of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide?
The molecular weight of (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide is 301.05 g/mol.
Where can I buy (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide?
You can request a quote for (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.