RefChem:1088016
TL;DR: RefChem:1088016 (CAS 63446-00-4) is a chemical compound with molecular formula C18H25ClN2O5 and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylpiperazin-4-ium-1-yl)-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-yl)methanone chloride
Also Known As: Ketone, 4-methyl-1-piperazinyl 3-methyl-5,6-7-trimethoxy-2-benzofuranyl, hydrochloride, 1-(3-Methyl-5,6,7-trimethoxybenzofuran-2-yl)carbonyl-4-methylpiperazine hydrochloride, (4-methylpiperazin-4-ium-1-yl)-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-yl)methanone chloride, Piperazine, 4-methyl-1-(3-methyl-5,6,7-trimethoxybenzofuran-2-yl)carbonyl-, hydrochloride, RefChem:1088016
| Molecular Formula | C18H25ClN2O5 |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | -2.26 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.1452 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 63446-00-4 |
|---|---|
| SMILES | CC1=C(OC2=C(C(=C(C=C12)OC)OC)OC)C(=O)N3CC[NH+](CC3)C.[Cl-] |
| InChIKey | STTDURKXFLQOTF-UHFFFAOYSA-N |
Product Overview
RefChem:1088016 (CAS 63446-00-4), with molecular formula C18H25ClN2O5 and molecular weight 384.15 g/mol. IUPAC: (4-methylpiperazin-4-ium-1-yl)-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-yl)methanone chloride.
Chemical Property Profile of RefChem:1088016
Property Insights of RefChem:1088016
The XLogP value of -2.26 indicates that RefChem:1088016 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1088016. Following Lipinski's Rule of Five, RefChem:1088016 has 1 hydrogen bond donor(s) and 6 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:1088016?
The CAS number of RefChem:1088016 is 63446-00-4.
What is the molecular formula of RefChem:1088016?
The molecular formula of RefChem:1088016 is C18H25ClN2O5.
What is the molecular weight of RefChem:1088016?
The molecular weight of RefChem:1088016 is 384.15 g/mol.
Where can I buy RefChem:1088016?
You can request a quote for RefChem:1088016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088016?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.