RefChem:215405
TL;DR: RefChem:215405 (CAS 115243-01-1) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-3H-[1,2,6]thiadiazepino[6,7-a]benzimidazole 1,1-dioxide
Also Known As: 1,2,6-Thiadiazepino(6,7-a)benzimidazole, 2,3,4,5-tetrahydro-2-(2-(3,4-dimethoxyphenyl)ethyl)-,1,1-dioxide, 2-[2-(3,4-Dimethoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1H-1lambda~6~-[1,2,6]thiadiazepino[6,7-a][1,3]benzimidazole-1,1-dione, 2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-3H-[1,2,6]thiadiazepino[6,7-a]benzimidazole 1,1-dioxide, RefChem:215405
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.6906 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 1107.8363 |
Chemical Identifiers
| CAS Number | 115243-01-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CCCN3C4=CC=CC=C4N=C3S2(=O)=O)OC |
Product Overview
RefChem:215405 (CAS 115243-01-1), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-3H-[1,2,6]thiadiazepino[6,7-a]benzimidazole 1,1-dioxide.
Chemical Property Profile of RefChem:215405
Property Insights of RefChem:215405
The XLogP value of 2.6906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:215405. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:215405. Following Lipinski's Rule of Five, RefChem:215405 has 0 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 RefChem:215405?
The CAS number of RefChem:215405 is 115243-01-1.
What is the molecular formula of RefChem:215405?
The molecular formula of RefChem:215405 is C20H23N3O4S.
What is the molecular weight of RefChem:215405?
The molecular weight of RefChem:215405 is 401.14 g/mol.
Where can I buy RefChem:215405?
You can request a quote for RefChem:215405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:215405?
Yes, KEHONG BIO provides custom synthesis services for RefChem:215405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.