C15H18BrNO4.ClH
TL;DR: C15H18BrNO4.ClH (CAS 35689-37-3) is a chemical compound with molecular formula C15H19BrClNO4 and molecular weight 391.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride
Also Known As: 2-Benzofurancarboxylic acid, 5-bromo-6-methoxy-3-methyl-, dimethlyaminoethyl ester, hydrochloride, 2-(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride, 2-BENZOFURANCARBOXYLIC ACID, 5-BROMO-6-METHOXY-3-METHYL-, DIMETHLYAMINOETHYL EST, RefChem:1062317
| Molecular Formula | C15H19BrClNO4 |
|---|---|
| Molecular Weight | 391.02 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.0186 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 35689-37-3 |
|---|---|
| SMILES | CC1=C(OC2=CC(=C(C=C12)Br)OC)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | QVKNWTRXNGCDNR-UHFFFAOYSA-N |
Product Overview
C15H18BrNO4.ClH (CAS 35689-37-3), with molecular formula C15H19BrClNO4 and molecular weight 391.02 g/mol. IUPAC: 2-(5-bromo-6-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of C15H18BrNO4.ClH
Property Insights of C15H18BrNO4.ClH
The XLogP value of -1.18 indicates that C15H18BrNO4.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.1 Ų, C15H18BrNO4.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H18BrNO4.ClH 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 C15H18BrNO4.ClH?
The CAS number of C15H18BrNO4.ClH is 35689-37-3.
What is the molecular formula of C15H18BrNO4.ClH?
The molecular formula of C15H18BrNO4.ClH is C15H19BrClNO4.
What is the molecular weight of C15H18BrNO4.ClH?
The molecular weight of C15H18BrNO4.ClH is 391.02 g/mol.
Where can I buy C15H18BrNO4.ClH?
You can request a quote for C15H18BrNO4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H18BrNO4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C15H18BrNO4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.