RefChem:236996
TL;DR: RefChem:236996 (CAS 98532-77-5) is a chemical compound with molecular formula C17H17Cl2N3O3 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1h-1,2,4-triazole,1-((2-, 1H-1,2,4-Triazole,1-((2- -, 1-((2-(5,7-Dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-, 1-((2-(5,7-Dichlorobenzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
| Molecular Formula | C17H17Cl2N3O3 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 4.2571 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.0647 |
| Heavy Atoms | 25 |
| Complexity | 895.3988 |
Chemical Identifiers
| CAS Number | 98532-77-5 |
|---|---|
| SMILES | CC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C |
Product Overview
RefChem:236996 (CAS 98532-77-5), with molecular formula C17H17Cl2N3O3 and molecular weight 381.06 g/mol. IUPAC: 1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of RefChem:236996
Property Insights of RefChem:236996
The XLogP value of 4.2571 indicates that RefChem:236996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236996. Following Lipinski's Rule of Five, RefChem:236996 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:236996?
The CAS number of RefChem:236996 is 98532-77-5.
What is the molecular formula of RefChem:236996?
The molecular formula of RefChem:236996 is C17H17Cl2N3O3.
What is the molecular weight of RefChem:236996?
The molecular weight of RefChem:236996 is 381.06 g/mol.
Where can I buy RefChem:236996?
You can request a quote for RefChem:236996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.