1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
TL;DR: 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate (CAS 743473-74-7) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
Also Known As: 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate, 1H-benzoimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate, (1H-benzo[d]imidazol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.4846 |
| Topological Polar Surface Area | 92.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1065.4165 |
Chemical Identifiers
| CAS Number | 743473-74-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3 |
Product Overview
1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate (CAS 743473-74-7), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate.
Chemical Property Profile of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
Property Insights of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
The XLogP value of 3.4846 indicates that 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate has 1 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 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate?
The CAS number of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate is 743473-74-7.
What is the molecular formula of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate?
The molecular formula of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate is C21H23N3O4S.
What is the molecular weight of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate?
The molecular weight of 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate is 413.14 g/mol.
Where can I buy 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate?
You can request a quote for 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzimidazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.