RefChem:1062316
TL;DR: RefChem:1062316 (CAS 35689-39-5) is a chemical compound with molecular formula C17H22Br2ClNO4 and molecular weight 496.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-diethylazanium chloride
Also Known As: 2-Benzofurancarboxylic acid, 5,7-dibromo-6-methoxy-3-methyl-, diethylaminoethyl ester, hydrochloride, 2-(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-diethylazanium chloride, 2-BENZOFURANCARBOXYLIC ACID, 5,7-DIBROMO-6-METHOXY-3-METHYL-, DIETHYLAMINOETHYL, RefChem:1062316
| Molecular Formula | C17H22Br2ClNO4 |
|---|---|
| Molecular Weight | 496.96 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.95837 |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 35689-39-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C2=CC(=C(C(=C2O1)Br)OC)Br)C.[Cl-] |
| InChIKey | FDOARBMUPOIGSG-UHFFFAOYSA-N |
Product Overview
RefChem:1062316 (CAS 35689-39-5), with molecular formula C17H22Br2ClNO4 and molecular weight 496.96 g/mol. IUPAC: 2-(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1062316
Property Insights of RefChem:1062316
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062316. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:1062316 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062316 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 RefChem:1062316?
The CAS number of RefChem:1062316 is 35689-39-5.
What is the molecular formula of RefChem:1062316?
The molecular formula of RefChem:1062316 is C17H22Br2ClNO4.
What is the molecular weight of RefChem:1062316?
The molecular weight of RefChem:1062316 is 496.96 g/mol.
Where can I buy RefChem:1062316?
You can request a quote for RefChem:1062316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062316?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.