Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate
TL;DR: Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate (CAS 85421-76-7) is a chemical compound with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(5-hydroxy-6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Also Known As: Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate, methyl[5-hydroxy-6-(propylsulfonyl)-1h-benzimidazol-2-yl]carbamate, Methyl (5-hydroxy-6-(propylsulfonyl)-1H-benzimidazol-2-yl)carbamate, methyl N-(5-hydroxy-6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate, Carbamic acid, (5-hydroxy-6-(propylsulfonyl)-1H-benzimidazol-2-yl)-, methyl ester
| Molecular Formula | C12H15N3O5S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.07324 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 85421-76-7 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)NC(=O)OC)O |
| InChIKey | JYZHWXBRWXBYMP-UHFFFAOYSA-N |
Product Overview
Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate (CAS 85421-76-7), with molecular formula C12H15N3O5S and molecular weight 313.07 g/mol. IUPAC: methyl N-(5-hydroxy-6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate.
Chemical Property Profile of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate
Property Insights of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate. Following Lipinski's Rule of Five, Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate has 3 hydrogen bond donor(s) and 6 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-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate?
The CAS number of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate is 85421-76-7.
What is the molecular formula of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate?
The molecular formula of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate is C12H15N3O5S.
What is the molecular weight of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate?
The molecular weight of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate is 313.07 g/mol.
Where can I buy Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate?
You can request a quote for Methyl (5-Hydroxy-6(propylsulfonyl)-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-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.