ethyl 9H-xanthene-9-carboxylate
TL;DR: ethyl 9H-xanthene-9-carboxylate (CAS 107-74-4) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9H-xanthene-9-carboxylate
Also Known As: ethyl 9H-xanthene-9-carboxylate, ethyl xanthene-9-carboxylate, Choline Bromide, Maybridge1_002093, 9H-xanthene-9-carboxylic acid ethyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 107-74-4 |
|---|---|
| SMILES | CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | LFHPCJSHNRJCEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 9H-xanthene-9-carboxylate (CAS 107-74-4), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: ethyl 9H-xanthene-9-carboxylate.
Chemical Property Profile of ethyl 9H-xanthene-9-carboxylate
Property Insights of ethyl 9H-xanthene-9-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 9H-xanthene-9-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, ethyl 9H-xanthene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 9H-xanthene-9-carboxylate has 0 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 ethyl 9H-xanthene-9-carboxylate?
The CAS number of ethyl 9H-xanthene-9-carboxylate is 107-74-4.
What is the molecular formula of ethyl 9H-xanthene-9-carboxylate?
The molecular formula of ethyl 9H-xanthene-9-carboxylate is C16H14O3.
What is the molecular weight of ethyl 9H-xanthene-9-carboxylate?
The molecular weight of ethyl 9H-xanthene-9-carboxylate is 254.09 g/mol.
Where can I buy ethyl 9H-xanthene-9-carboxylate?
You can request a quote for ethyl 9H-xanthene-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 9H-xanthene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 9H-xanthene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.