5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate
TL;DR: 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate (CAS 91955-96-3) is a chemical compound with molecular formula C9H10FN4O5P and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[fluoro(methyl)phosphoryl]oxyethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: Nbd-AE-mpf, Nbd-aminoethylmethylphosphonofluoridate, Phosphonofluoridic acid, methyl-, 2-((7-nitro-4-benzofurazanyl)amino)ethyl ester, 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl methylphosphonofluoridate
| Molecular Formula | C9H10FN4O5P |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0373 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 91955-96-3 |
|---|---|
| SMILES | CP(=O)(OCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])F |
| InChIKey | SVZQAWVAIKFBPU-UHFFFAOYSA-N |
Product Overview
5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate (CAS 91955-96-3), with molecular formula C9H10FN4O5P and molecular weight 304.04 g/mol. IUPAC: N-[2-[fluoro(methyl)phosphoryl]oxyethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate
Property Insights of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate. Following Lipinski's Rule of Five, 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate has 1 hydrogen bond donor(s) and 9 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 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate?
The CAS number of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate is 91955-96-3.
What is the molecular formula of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate?
The molecular formula of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate is C9H10FN4O5P.
What is the molecular weight of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate?
The molecular weight of 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate is 304.04 g/mol.
Where can I buy 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate?
You can request a quote for 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for 5-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminoethylmethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.