N-(9H-xanthen-9-yl)prop-2-enamide
TL;DR: N-(9H-xanthen-9-yl)prop-2-enamide (CAS 70713-45-0) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9H-xanthen-9-yl)prop-2-enamide
Also Known As: n-(9h-xanthen-9-yl)prop-2-enamide, 3-ethyl-6,8-dimethyl-4-methylidene-1H-quinazolin-2-one
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 70713-45-0 |
|---|---|
| SMILES | C=CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | HHBRTDLICZVBMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(9H-xanthen-9-yl)prop-2-enamide (CAS 70713-45-0), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: N-(9H-xanthen-9-yl)prop-2-enamide.
Chemical Property Profile of N-(9H-xanthen-9-yl)prop-2-enamide
Property Insights of N-(9H-xanthen-9-yl)prop-2-enamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(9H-xanthen-9-yl)prop-2-enamide. With a topological polar surface area (TPSA) of 38.3 Ų, N-(9H-xanthen-9-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(9H-xanthen-9-yl)prop-2-enamide 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 N-(9H-xanthen-9-yl)prop-2-enamide?
The CAS number of N-(9H-xanthen-9-yl)prop-2-enamide is 70713-45-0.
What is the molecular formula of N-(9H-xanthen-9-yl)prop-2-enamide?
The molecular formula of N-(9H-xanthen-9-yl)prop-2-enamide is C16H13NO2.
What is the molecular weight of N-(9H-xanthen-9-yl)prop-2-enamide?
The molecular weight of N-(9H-xanthen-9-yl)prop-2-enamide is 251.09 g/mol.
Where can I buy N-(9H-xanthen-9-yl)prop-2-enamide?
You can request a quote for N-(9H-xanthen-9-yl)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-(9H-xanthen-9-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(9H-xanthen-9-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.