RefChem:1067117
TL;DR: RefChem:1067117 (CAS 3468-07-3) is a chemical compound with molecular formula C22H24ClNO4 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride
Also Known As: dimethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride, 4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-, 3-(DIMETHYLAMINO)PR, DIMETHYL-[3-(3-METHYL-4-OXO-2-PHENYL-CHROMENE-8-CARBONYL)OXYPROPYL]AZANIUM CHLORIDE, 3-(Dimethylamino)propyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C22H24ClNO4 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | -0.54 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.13937 |
| Heavy Atoms | 28 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 3468-07-3 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCC[NH+](C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | SVYSLEYCAUEQJE-UHFFFAOYSA-N |
Product Overview
RefChem:1067117 (CAS 3468-07-3), with molecular formula C22H24ClNO4 and molecular weight 401.14 g/mol. IUPAC: dimethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:1067117
Property Insights of RefChem:1067117
The XLogP value of -0.54 indicates that RefChem:1067117 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:1067117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067117 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:1067117?
The CAS number of RefChem:1067117 is 3468-07-3.
What is the molecular formula of RefChem:1067117?
The molecular formula of RefChem:1067117 is C22H24ClNO4.
What is the molecular weight of RefChem:1067117?
The molecular weight of RefChem:1067117 is 401.14 g/mol.
Where can I buy RefChem:1067117?
You can request a quote for RefChem:1067117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.