1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-
TL;DR: 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- (CAS 73484-47-6) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-one
Also Known As: 5- -3-( -1,3,4-oxadiazol-2 -one, 5-(1,3-Benzodioxol-5-yl)-3-((phenylamino)methyl)-1,3,4-oxadiazol-2(3H)-one, 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-, 3-(anilinomethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-one, 5-(Benzo[d][1,3]dioxol-5-yl)-3-((phenylamino)methyl)-1,3,4-oxadiazol-2(3H)-one
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.3016 |
| Topological Polar Surface Area | 78.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 885.84106 |
Chemical Identifiers
| CAS Number | 73484-47-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CNC4=CC=CC=C4 |
Product Overview
1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- (CAS 73484-47-6), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 3-(anilinomethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-
Property Insights of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-
The XLogP value of 2.3016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-. The TPSA of 78.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- has 1 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 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-?
The CAS number of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- is 73484-47-6.
What is the molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-?
The molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- is C16H13N3O4.
What is the molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-?
The molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- is 311.09 g/mol.
Where can I buy 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-?
You can request a quote for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-((phenylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.