(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
TL;DR: (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate (CAS 111210-05-0) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
Also Known As: NCI60_012161, (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate, 1H-Benzimidazole-4,7-dione, 2-[[[(phenylamino)carbonyl]oxy]methyl]-, (4,7-dioxo-4,7-dihydro-1H-benzimidazol-2-yl)methyl phenylcarbamate, 1H-Benzimidazole-4,7-dione,2-[[[(phenylamino)carbonyl]oxy]methyl]
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 111210-05-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC2=NC3=C(N2)C(=O)C=CC3=O |
| InChIKey | ISLJYPPXVQBTQP-UHFFFAOYSA-N |
Product Overview
(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate (CAS 111210-05-0), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate.
Chemical Property Profile of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
Property Insights of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate. Following Lipinski's Rule of Five, (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate has 2 hydrogen bond donor(s) and 5 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 (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate?
The CAS number of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate is 111210-05-0.
What is the molecular formula of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate?
The molecular formula of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate is C15H11N3O4.
What is the molecular weight of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate?
The molecular weight of (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate is 297.07 g/mol.
Where can I buy (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate?
You can request a quote for (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.