Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate
TL;DR: Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate (CAS 6491-20-9) is a chemical compound with molecular formula C26H31N5O5S and molecular weight 525.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Also Known As: Pemoline-dione, Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate, methyl[1-(butylcarbamoyl)-1h-benzimidazol-2-yl]carbamate- 2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide(1:1), methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, methyl N-[1-(butylcarbamoyl)benzoimidazol-2-yl]carbamate; 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
| Molecular Formula | C26H31N5O5S |
|---|---|
| Molecular Weight | 525.20 g/mol |
| LogP | 5.1924 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.2046 |
| Heavy Atoms | 37 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 6491-20-9 |
|---|---|
| SMILES | CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 |
| InChIKey | IJJGMLZDZDDKAQ-UHFFFAOYSA-N |
Product Overview
Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate (CAS 6491-20-9), with molecular formula C26H31N5O5S and molecular weight 525.20 g/mol. IUPAC: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
Chemical Property Profile of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate
Property Insights of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate
The XLogP value of 5.1924 indicates that Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate?
The CAS number of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate is 6491-20-9.
What is the molecular formula of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate?
The molecular formula of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate is C26H31N5O5S.
What is the molecular weight of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate?
The molecular weight of Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate is 525.20 g/mol.
Where can I buy Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate?
You can request a quote for Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(1-(butylcarbamoyl)benzoimidazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.