4-Cyanophenyl morpholine-4-carboxylate
TL;DR: 4-Cyanophenyl morpholine-4-carboxylate (CAS 694472-91-8) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) morpholine-4-carboxylate
Also Known As: 4-cyanophenyl morpholine-4-carboxylate, BAS 06496979, (4-cyanophenyl) morpholine-4-carboxylate, J3.574.213A, Morpholine-4-carboxylic acid 4-cyanophenyl ester
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.38928 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 430.0591 |
Chemical Identifiers
| CAS Number | 694472-91-8 |
|---|---|
| SMILES | C1COCCN1C(=O)OC2=CC=C(C=C2)C#N |
Product Overview
4-Cyanophenyl morpholine-4-carboxylate (CAS 694472-91-8), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: (4-cyanophenyl) morpholine-4-carboxylate.
Chemical Property Profile of 4-Cyanophenyl morpholine-4-carboxylate
Property Insights of 4-Cyanophenyl morpholine-4-carboxylate
The XLogP value of 1.38928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl morpholine-4-carboxylate. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenyl morpholine-4-carboxylate. Following Lipinski's Rule of Five, 4-Cyanophenyl morpholine-4-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 4-Cyanophenyl morpholine-4-carboxylate?
The CAS number of 4-Cyanophenyl morpholine-4-carboxylate is 694472-91-8.
What is the molecular formula of 4-Cyanophenyl morpholine-4-carboxylate?
The molecular formula of 4-Cyanophenyl morpholine-4-carboxylate is C12H12N2O3.
What is the molecular weight of 4-Cyanophenyl morpholine-4-carboxylate?
The molecular weight of 4-Cyanophenyl morpholine-4-carboxylate is 232.08 g/mol.
Where can I buy 4-Cyanophenyl morpholine-4-carboxylate?
You can request a quote for 4-Cyanophenyl morpholine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl morpholine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl morpholine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.