N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide (CAS 133231-92-2) 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.
N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)acrylamide, N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.7206 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 712.41833 |
Chemical Identifiers
| CAS Number | 133231-92-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)Cl |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide (CAS 133231-92-2), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
The XLogP value of 3.7206 indicates that N-(1,3-benzodioxol-5-yl)-3-(3-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 47.56 Ų, N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(3-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 N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide is 133231-92-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide is C16H12ClNO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide is 301.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(3-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 N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.