ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
TL;DR: ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate (CAS 2677-69-2) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
Also Known As: ethyl cyano(9h-xanthen-9-yl)acetate, ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate, 9H-Xanthene-9-aceticacid, a-cyano-, ethyl ester
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 2677-69-2 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | LRZYRLIZVIYBMS-UHFFFAOYSA-N |
Product Overview
ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate (CAS 2677-69-2), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate.
Chemical Property Profile of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
Property Insights of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
The XLogP value of 3.4 indicates that ethyl 2-cyano-2-(9H-xanthen-9-yl)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 2-cyano-2-(9H-xanthen-9-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-cyano-2-(9H-xanthen-9-yl)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 2-cyano-2-(9H-xanthen-9-yl)acetate?
The CAS number of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate is 2677-69-2.
What is the molecular formula of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate?
The molecular formula of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate is C18H15NO3.
What is the molecular weight of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate?
The molecular weight of ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate is 293.11 g/mol.
Where can I buy ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate?
You can request a quote for ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.