2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-
TL;DR: 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- (CAS 74400-48-9) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N,N-dipropyl-2,1,3-benzoxadiazol-7-amine
Also Known As: 7-NITRO-N,N-DIPROPYL-2,1,3-BENZOXADIAZOL-4-AMINE, BAS 01237313, 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-, 4-nitro-N,N-dipropyl-2,1,3-benzoxadiazol-7-amine, 7-Nitro-N,N-dipropylbenzo[c][1,2,5]oxadiazol-4-amine
| Molecular Formula | C12H16N4O3 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 2.7574 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.12225 |
| Heavy Atoms | 19 |
| Complexity | 575.3582 |
Chemical Identifiers
| CAS Number | 74400-48-9 |
|---|---|
| SMILES | CCCN(CCC)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
Product Overview
2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- (CAS 74400-48-9), with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol. IUPAC: 4-nitro-N,N-dipropyl-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-
Property Insights of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-
The XLogP value of 2.7574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- 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 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-?
The CAS number of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- is 74400-48-9.
What is the molecular formula of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-?
The molecular formula of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- is C12H16N4O3.
What is the molecular weight of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-?
The molecular weight of 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- is 264.12 g/mol.
Where can I buy 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-?
You can request a quote for 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.