RefChem:334457
TL;DR: RefChem:334457 (CAS 63446-04-8) is a chemical compound with molecular formula C19H28ClNO6 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-(2-methylpropyl)azanium chloride
Also Known As: Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-isobutylaminopropoxy)-4-methyl-, hydrochloride, 6-(3-Isobutylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride, [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-(2-methylpropyl)azanium chloride, RefChem:334457
| Molecular Formula | C19H28ClNO6 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | -1.92 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.16052 |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 63446-04-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C(=C(C=C12)OCC(C[NH2+]CC(C)C)O)OC)OC.[Cl-] |
| InChIKey | NXXKZYVYWUPSJG-UHFFFAOYSA-N |
Product Overview
RefChem:334457 (CAS 63446-04-8), with molecular formula C19H28ClNO6 and molecular weight 401.16 g/mol. IUPAC: [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-(2-methylpropyl)azanium chloride.
Chemical Property Profile of RefChem:334457
Property Insights of RefChem:334457
The XLogP value of -1.92 indicates that RefChem:334457 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334457. Following Lipinski's Rule of Five, RefChem:334457 has 2 hydrogen bond donor(s) and 7 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:334457?
The CAS number of RefChem:334457 is 63446-04-8.
What is the molecular formula of RefChem:334457?
The molecular formula of RefChem:334457 is C19H28ClNO6.
What is the molecular weight of RefChem:334457?
The molecular weight of RefChem:334457 is 401.16 g/mol.
Where can I buy RefChem:334457?
You can request a quote for RefChem:334457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334457?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.