Ethyl cyano(9H-xanthen-9-ylidene)acetate
TL;DR: Ethyl cyano(9H-xanthen-9-ylidene)acetate (CAS 65714-65-0) is a chemical compound with molecular formula C18H13NO3 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-xanthen-9-ylideneacetate
Also Known As: ethyl 2-cyano-2-xanthen-9-ylideneacetate, Ethyl cyano(9H-xanthen-9-ylidene)acetate, Ethyl-cyano(xanthen-9-yliden)-acetat, ethyl 2-cyano-2-xanthen-9-ylidene-acetate
| Molecular Formula | C18H13NO3 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.08954 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 65714-65-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1C2=CC=CC=C2OC3=CC=CC=C31)C#N |
| InChIKey | RMABXBDSIGBEQJ-UHFFFAOYSA-N |
Product Overview
Ethyl cyano(9H-xanthen-9-ylidene)acetate (CAS 65714-65-0), with molecular formula C18H13NO3 and molecular weight 291.09 g/mol. IUPAC: ethyl 2-cyano-2-xanthen-9-ylideneacetate.
Chemical Property Profile of Ethyl cyano(9H-xanthen-9-ylidene)acetate
Property Insights of Ethyl cyano(9H-xanthen-9-ylidene)acetate
The XLogP value of 3.4 indicates that Ethyl cyano(9H-xanthen-9-ylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl cyano(9H-xanthen-9-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyano(9H-xanthen-9-ylidene)acetate has 0 hydrogen bond donor(s) and 4 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 Ethyl cyano(9H-xanthen-9-ylidene)acetate?
The CAS number of Ethyl cyano(9H-xanthen-9-ylidene)acetate is 65714-65-0.
What is the molecular formula of Ethyl cyano(9H-xanthen-9-ylidene)acetate?
The molecular formula of Ethyl cyano(9H-xanthen-9-ylidene)acetate is C18H13NO3.
What is the molecular weight of Ethyl cyano(9H-xanthen-9-ylidene)acetate?
The molecular weight of Ethyl cyano(9H-xanthen-9-ylidene)acetate is 291.09 g/mol.
Where can I buy Ethyl cyano(9H-xanthen-9-ylidene)acetate?
You can request a quote for Ethyl cyano(9H-xanthen-9-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano(9H-xanthen-9-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano(9H-xanthen-9-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.