(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate
TL;DR: (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate (CAS 91963-65-4) is a chemical compound with molecular formula C12H16FN4O5P and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[fluoro(methyl)phosphoryl]oxypentyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: Nbd-AP-mfp, Nbd-aminopentylmethylphosphonofluoridate, aminopentylmethylphosphonofluoridate, Phosphonofluoridic acid, methyl-, 5-((7-nitro-4-benzofurazanyl)amino)pentyl ester, (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate
| Molecular Formula | C12H16FN4O5P |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.08423 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 91963-65-4 |
|---|---|
| SMILES | CP(=O)(OCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])F |
| InChIKey | CQRZHOIPJNBZEC-UHFFFAOYSA-N |
Product Overview
(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate (CAS 91963-65-4), with molecular formula C12H16FN4O5P and molecular weight 346.08 g/mol. IUPAC: N-[5-[fluoro(methyl)phosphoryl]oxypentyl]-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate
Property Insights of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate. Following Lipinski's Rule of Five, (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate 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 (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate?
The CAS number of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate is 91963-65-4.
What is the molecular formula of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate?
The molecular formula of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate is C12H16FN4O5P.
What is the molecular weight of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate?
The molecular weight of (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate is 346.08 g/mol.
Where can I buy (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate?
You can request a quote for (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate?
Yes, KEHONG BIO provides custom synthesis services for (7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aminopentylmethylphosphonofluoridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.