RefChem:334444
TL;DR: RefChem:334444 (CAS 63446-03-7) is a chemical compound with molecular formula C18H26ClNO5 and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)oxypropyl]-(2-methylpropyl)azanium chloride
Also Known As: Coumarin, 6-(2-hydroxy-3-isobutylaminopropoxy)-7-methoxy-4-methyl-, hydrochloride, 6-(3-Isobutylamino-2-hydroxypropoxy)-7-methoxy-4-methylcoumarin hydrochloride, [2-hydroxy-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)oxypropyl]-(2-methylpropyl)azanium chloride, RefChem:334444
| Molecular Formula | C18H26ClNO5 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | -1.93 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.14996 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 63446-03-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)OCC(C[NH2+]CC(C)C)O)OC.[Cl-] |
| InChIKey | BPLCCZRTHDVTHG-UHFFFAOYSA-N |
Product Overview
RefChem:334444 (CAS 63446-03-7), with molecular formula C18H26ClNO5 and molecular weight 371.15 g/mol. IUPAC: [2-hydroxy-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)oxypropyl]-(2-methylpropyl)azanium chloride.
Chemical Property Profile of RefChem:334444
Property Insights of RefChem:334444
The XLogP value of -1.93 indicates that RefChem:334444 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334444. Following Lipinski's Rule of Five, RefChem:334444 has 2 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:334444?
The CAS number of RefChem:334444 is 63446-03-7.
What is the molecular formula of RefChem:334444?
The molecular formula of RefChem:334444 is C18H26ClNO5.
What is the molecular weight of RefChem:334444?
The molecular weight of RefChem:334444 is 371.15 g/mol.
Where can I buy RefChem:334444?
You can request a quote for RefChem:334444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.