cyanomethyl 9H-xanthene-9-carboxylate
TL;DR: cyanomethyl 9H-xanthene-9-carboxylate (CAS 727696-98-2) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 9H-xanthene-9-carboxylate
Also Known As: cyanomethyl 9H-xanthene-9-carboxylate
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.99098 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 657.36334 |
Chemical Identifiers
| CAS Number | 727696-98-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC#N |
Product Overview
cyanomethyl 9H-xanthene-9-carboxylate (CAS 727696-98-2), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: cyanomethyl 9H-xanthene-9-carboxylate.
Chemical Property Profile of cyanomethyl 9H-xanthene-9-carboxylate
Property Insights of cyanomethyl 9H-xanthene-9-carboxylate
The XLogP value of 2.99098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl 9H-xanthene-9-carboxylate. With a topological polar surface area (TPSA) of 59.32 Ų, cyanomethyl 9H-xanthene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cyanomethyl 9H-xanthene-9-carboxylate 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 cyanomethyl 9H-xanthene-9-carboxylate?
The CAS number of cyanomethyl 9H-xanthene-9-carboxylate is 727696-98-2.
What is the molecular formula of cyanomethyl 9H-xanthene-9-carboxylate?
The molecular formula of cyanomethyl 9H-xanthene-9-carboxylate is C16H11NO3.
What is the molecular weight of cyanomethyl 9H-xanthene-9-carboxylate?
The molecular weight of cyanomethyl 9H-xanthene-9-carboxylate is 265.07 g/mol.
Where can I buy cyanomethyl 9H-xanthene-9-carboxylate?
You can request a quote for cyanomethyl 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 cyanomethyl 9H-xanthene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl 9H-xanthene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.