N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
TL;DR: N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide (CAS 886914-13-2) is a chemical compound with molecular formula C14H13N3O6S and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
Also Known As: N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide, N-[5-(4-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5,6-dihydro-1,4-dioxine-2-carboxamide, N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide, p-[5-(5,6-dihydro-1,4-dioxin-2-ylcarbonylamino)-1,3,4-oxadiazol-2-yl]phenyl(methyl)(oxo)-lambda-sulfaniumolate
| Molecular Formula | C14H13N3O6S |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 0.9668 |
| Topological Polar Surface Area | 120.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.05252 |
| Heavy Atoms | 24 |
| Complexity | 885.4885 |
Chemical Identifiers
| CAS Number | 886914-13-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=COCCO3 |
Product Overview
N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide (CAS 886914-13-2), with molecular formula C14H13N3O6S and molecular weight 351.05 g/mol. IUPAC: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
Chemical Property Profile of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
Property Insights of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
The XLogP value of 0.9668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide. The TPSA of 120.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide. Following Lipinski's Rule of Five, N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide has 1 hydrogen bond donor(s) and 8 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 N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide?
The CAS number of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is 886914-13-2.
What is the molecular formula of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide?
The molecular formula of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is C14H13N3O6S.
What is the molecular weight of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide?
The molecular weight of N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is 351.05 g/mol.
Where can I buy N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide?
You can request a quote for N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.