Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate
TL;DR: Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate (CAS 54029-24-2) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[6-(methylsulfanylmethoxy)-1H-benzimidazol-2-yl]carbamate
Also Known As: Carbamicacid,(5-( -,methylester, RS-9237-000, 5-Methylthiomethyleneoxy-2-carbomethoxyaminobenzimidazole, Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate, methyl N-[6-(methylsulfanylmethoxy)-1H-benzimidazol-2-yl]carbamate
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 54029-24-2 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)OCSC |
| InChIKey | HZWDNCIOQHHJRM-UHFFFAOYSA-N |
Product Overview
Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate (CAS 54029-24-2), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: methyl N-[6-(methylsulfanylmethoxy)-1H-benzimidazol-2-yl]carbamate.
Chemical Property Profile of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate
Property Insights of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate. Following Lipinski's Rule of Five, Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate 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 Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate?
The CAS number of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate is 54029-24-2.
What is the molecular formula of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate?
The molecular formula of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate is C11H13N3O3S.
What is the molecular weight of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate?
The molecular weight of Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate is 267.07 g/mol.
Where can I buy Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate?
You can request a quote for Methyl (5-((methylthio)methoxy)-1H-benzimidazol-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 (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-((methylthio)methoxy)-1H-benzimidazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.