n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)
TL;DR: n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) (CAS 87781-09-7) is a chemical compound with molecular formula C18H12N4O8 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-benzodioxol-5-yl-[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
Also Known As: n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide), N-[1,3-benzodioxol-5-yl-[(2,5-dioxopyrrole-1-carbonyl)amino], N-[benzo[1,3]dioxol-5-yl-[ amino]methyl]-2,5-dioxo-pyrrole-1-carboxamide, N,N'-[(2H-1,3-Benzodioxol-5-yl)methylene]bis(2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxamide), N-[1,3-benzodioxol-5-yl-[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
| Molecular Formula | C18H12N4O8 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.06552 |
| Heavy Atoms | 30 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 87781-09-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(NC(=O)N3C(=O)C=CC3=O)NC(=O)N4C(=O)C=CC4=O |
| InChIKey | ZWOHLBJVNIBGNA-UHFFFAOYSA-N |
Product Overview
n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) (CAS 87781-09-7), with molecular formula C18H12N4O8 and molecular weight 412.07 g/mol. IUPAC: N-[1,3-benzodioxol-5-yl-[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide.
Chemical Property Profile of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)
Property Insights of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide). The TPSA of 151.0 Ų indicates high polarity, suggesting n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) 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,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)?
The CAS number of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) is 87781-09-7.
What is the molecular formula of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)?
The molecular formula of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) is C18H12N4O8.
What is the molecular weight of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)?
The molecular weight of n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) is 412.07 g/mol.
Where can I buy n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)?
You can request a quote for n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide)?
Yes, KEHONG BIO provides custom synthesis services for n,n'-(1,3-benzodioxol-5-ylmethanediyl)bis(2,5-dioxo-2,5-dihydro-1h-pyrrole-1-carboxamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.