N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine
TL;DR: N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine (CAS 6124-22-7) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2,1,3-benzoxadiazol-5-amine
Also Known As: Benzofurazan, 5-(dimethylamino)-, N,N-Dimethyl-5-benzofurazanamine, N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine, N,N-dimethylbenzo[c][1,2,5]oxadiazol-5-amine, 5-(Dimethylamino)-2,1,3-benzoxadiazole
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 6124-22-7 |
|---|---|
| SMILES | CN(C)C1=CC2=NON=C2C=C1 |
| InChIKey | UBLXBCSZUQBHHV-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine (CAS 6124-22-7), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: N,N-dimethyl-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine
Property Insights of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine. With a topological polar surface area (TPSA) of 42.2 Ų, N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine 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 N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine?
The CAS number of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine is 6124-22-7.
What is the molecular formula of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine is C8H9N3O.
What is the molecular weight of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine is 163.07 g/mol.
Where can I buy N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.