4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole
TL;DR: 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole (CAS 445420-72-4) is a chemical compound with molecular formula C9H7N5O5 and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-N-prop-2-enyl-2,1,3-benzoxadiazol-4-amine
Also Known As: 4-(allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole, AN-604/15168082, 5,7-dinitro-N-prop-2-enyl-2,1,3-benzoxadiazol-4-amine, 5,7-DINITRO-N-(PROP-2-EN-1-YL)-2,1,3-BENZOXADIAZOL-4-AMINE
| Molecular Formula | C9H7N5O5 |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 1.6371 |
| Topological Polar Surface Area | 137.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0447 |
| Heavy Atoms | 19 |
| Complexity | 678.9353 |
Chemical Identifiers
| CAS Number | 445420-72-4 |
|---|---|
| SMILES | C=CCNC1=C(C=C(C2=NON=C12)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole (CAS 445420-72-4), with molecular formula C9H7N5O5 and molecular weight 265.04 g/mol. IUPAC: 5,7-dinitro-N-prop-2-enyl-2,1,3-benzoxadiazol-4-amine.
Chemical Property Profile of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole
Property Insights of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole
The XLogP value of 1.6371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole. The TPSA of 137.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole 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 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole?
The CAS number of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole is 445420-72-4.
What is the molecular formula of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole?
The molecular formula of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole is C9H7N5O5.
What is the molecular weight of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole?
The molecular weight of 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole is 265.04 g/mol.
Where can I buy 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole?
You can request a quote for 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allylamino)-5,7-bisnitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.