A3910/0166303
TL;DR: A3910/0166303 (CAS 889949-66-0) is a chemical compound with molecular formula C21H22BrN3O3S and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butylacetamide
Also Known As: A3910/0166303, 2-[[(6-Bromo-1,3-benzodioxol-5-yl)methyl]thio]-N-(1,1-dimethylethyl)-1H-benzimidazole-1-acetamide, 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butylacetamide, 2-(2-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-benzimidazol-1-yl)-N-tert-butylacetamide, 2-(2-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]thio}-1H-benzimidazol-1-yl)-N-(tert-butyl)acetamide
| Molecular Formula | C21H22BrN3O3S |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 4.7345 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.05652 |
| Heavy Atoms | 29 |
| Complexity | 1074.954 |
Chemical Identifiers
| CAS Number | 889949-66-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4 |
Product Overview
A3910/0166303 (CAS 889949-66-0), with molecular formula C21H22BrN3O3S and molecular weight 475.06 g/mol. IUPAC: 2-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]-N-tert-butylacetamide.
Chemical Property Profile of A3910/0166303
Property Insights of A3910/0166303
The XLogP value of 4.7345 indicates that A3910/0166303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for A3910/0166303. Following Lipinski's Rule of Five, A3910/0166303 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 A3910/0166303?
The CAS number of A3910/0166303 is 889949-66-0.
What is the molecular formula of A3910/0166303?
The molecular formula of A3910/0166303 is C21H22BrN3O3S.
What is the molecular weight of A3910/0166303?
The molecular weight of A3910/0166303 is 475.06 g/mol.
Where can I buy A3910/0166303?
You can request a quote for A3910/0166303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3910/0166303?
Yes, KEHONG BIO provides custom synthesis services for A3910/0166303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.