6-Chlor-1-methyl-1H-benzimidazol
TL;DR: 6-Chlor-1-methyl-1H-benzimidazol (CAS 104060-12-0) is a chemical compound with molecular formula C27H30N2O9 and molecular weight 526.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 6-Chlor-1-methyl-1H-benzimidazol, RS-93522-004, RS 93522-004, 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-(4-(2,3-Dihydroxypropoxy)phenyl)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid
| Molecular Formula | C27H30N2O9 |
|---|---|
| Molecular Weight | 526.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.1951 |
| Heavy Atoms | 38 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 104060-12-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC |
| InChIKey | QLNAYPDWIWUVHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlor-1-methyl-1H-benzimidazol (CAS 104060-12-0), with molecular formula C27H30N2O9 and molecular weight 526.20 g/mol. IUPAC: 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 6-Chlor-1-methyl-1H-benzimidazol
Property Insights of 6-Chlor-1-methyl-1H-benzimidazol
The XLogP value of 3.1 indicates that 6-Chlor-1-methyl-1H-benzimidazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 6-Chlor-1-methyl-1H-benzimidazol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Chlor-1-methyl-1H-benzimidazol has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chlor-1-methyl-1H-benzimidazol?
The CAS number of 6-Chlor-1-methyl-1H-benzimidazol is 104060-12-0.
What is the molecular formula of 6-Chlor-1-methyl-1H-benzimidazol?
The molecular formula of 6-Chlor-1-methyl-1H-benzimidazol is C27H30N2O9.
What is the molecular weight of 6-Chlor-1-methyl-1H-benzimidazol?
The molecular weight of 6-Chlor-1-methyl-1H-benzimidazol is 526.20 g/mol.
Where can I buy 6-Chlor-1-methyl-1H-benzimidazol?
You can request a quote for 6-Chlor-1-methyl-1H-benzimidazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlor-1-methyl-1H-benzimidazol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlor-1-methyl-1H-benzimidazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.