(4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
TL;DR: (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CAS 5631-05-0) is a chemical compound with molecular formula C19H17FN2O5S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
Also Known As: (4-cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate, (4-Cyanophenyl)methyl 4-fluoro-3-(morpholine-4-sulfonyl)benzoate
| Molecular Formula | C19H17FN2O5S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 2.07528 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.08423 |
| Heavy Atoms | 28 |
| Complexity | 1009.6098 |
Chemical Identifiers
| CAS Number | 5631-05-0 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)F |
Product Overview
(4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CAS 5631-05-0), with molecular formula C19H17FN2O5S and molecular weight 404.08 g/mol. IUPAC: (4-cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
Property Insights of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
The XLogP value of 2.07528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has 0 hydrogen bond donor(s) and 6 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)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The CAS number of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is 5631-05-0.
What is the molecular formula of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The molecular formula of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is C19H17FN2O5S.
What is the molecular weight of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The molecular weight of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is 404.08 g/mol.
Where can I buy (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
You can request a quote for (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.