Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide
TL;DR: Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide (CAS 78329-76-7) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine
Also Known As: BENZOFURAZAN, 7-(3-(DIETHYLAMINO)PROPYLAMINO)-4-NITRO-, 1-OXIDE, 7-(3-(Diethylamino)propylamino)-4-nitrobenzofurazan 1-oxide, 1,3-Propanediamine, N,N-diethyl-N'-(7-nitro-4-benzofurazanyl)-, N-oxide, 1, N,N-diethyl-N'-(7-nitro-4-benzofurazanyl)-, N-oxide, 7-[3-(Diethylamino)propylamino]-4-nitrobenzofurazane 1-oxide
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 78329-76-7 |
|---|---|
| SMILES | CCN(CC)CCCNC1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-] |
| InChIKey | GWGCXMGGQQVJPA-UHFFFAOYSA-N |
Product Overview
Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide (CAS 78329-76-7), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine.
Chemical Property Profile of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide
Property Insights of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide has 1 hydrogen bond donor(s) and 7 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 Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide?
The CAS number of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide is 78329-76-7.
What is the molecular formula of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide?
The molecular formula of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide is C13H19N5O4.
What is the molecular weight of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide?
The molecular weight of Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide is 309.14 g/mol.
Where can I buy Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide?
You can request a quote for Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.