4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole
TL;DR: 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole (CAS 67013-48-3) is a chemical compound with molecular formula C11H11IN4O5 and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-iodoacetate
Also Known As: IANBD ester, IANBD, iodoacetamido-NBD, 4-(N-(iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole, 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-iodoacetate
| Molecular Formula | C11H11IN4O5 |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.97742 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 67013-48-3 |
|---|---|
| SMILES | CN(CCOC(=O)CI)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | BEDDXHFONHIYPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole (CAS 67013-48-3), with molecular formula C11H11IN4O5 and molecular weight 405.98 g/mol. IUPAC: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-iodoacetate.
Chemical Property Profile of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole
Property Insights of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole. Following Lipinski's Rule of Five, 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole has 0 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-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The CAS number of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole is 67013-48-3.
What is the molecular formula of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The molecular formula of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole is C11H11IN4O5.
What is the molecular weight of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The molecular weight of 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole is 405.98 g/mol.
Where can I buy 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
You can request a quote for 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(Iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.