N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea
TL;DR: N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea (CAS 73816-38-3) is a chemical compound with molecular formula C15H13N5O8 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)urea
Also Known As: N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea, N-(3-(2,4-Dinitrophenyl)-1-ureido)-3,6-endoxohexahydrophthalimide, Phthalimide, hexahydro-N-(3-(2,4-dinitrophenyl)-1-ureido)-3,6-endoxo-, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(3-(2,4-dinitrophenyl)-1-ureido)-, N'-(2,4-Dinitrophenyl)-N-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)carbamimidic acid
| Molecular Formula | C15H13N5O8 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 0.7019 |
| Topological Polar Surface Area | 174.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.07642 |
| Heavy Atoms | 28 |
| Complexity | 905.00635 |
Chemical Identifiers
| CAS Number | 73816-38-3 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)NC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea (CAS 73816-38-3), with molecular formula C15H13N5O8 and molecular weight 391.08 g/mol. IUPAC: 1-(2,4-dinitrophenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)urea.
Chemical Property Profile of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea
Property Insights of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea
The XLogP value of 0.7019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea. The TPSA of 174.02 Ų indicates high polarity, suggesting N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea has 2 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 N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea?
The CAS number of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea is 73816-38-3.
What is the molecular formula of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea?
The molecular formula of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea is C15H13N5O8.
What is the molecular weight of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea?
The molecular weight of N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea is 391.08 g/mol.
Where can I buy N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea?
You can request a quote for N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-Dinitrophenyl)-N'-(3,6-endoxohexahydrophthalimido)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.