Cornecain
TL;DR: Cornecain (CAS 4172-63-8) is a chemical compound with molecular formula C15H25ClN2O3 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride
Also Known As: Cornecain, 3-(Dimethylamino)-2-hydroxypropyl p-(propylamino)benzoate hydrochloride, 4-Propylamino-benzoesaeure-gamma-dimethylamino-beta-hydroxy-propylester hydrochloride, Benzoic acid, p-(propylamino)-, 3-(dimethylamino)-2-hydroxypropyl ester, hydrochloride, [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride
| Molecular Formula | C15H25ClN2O3 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | -2.83 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.15536 |
| Heavy Atoms | 21 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4172-63-8 |
|---|---|
| SMILES | CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)C)O.[Cl-] |
| InChIKey | HMJCMMTUKIJJAL-UHFFFAOYSA-N |
Product Overview
Cornecain (CAS 4172-63-8), with molecular formula C15H25ClN2O3 and molecular weight 316.16 g/mol. IUPAC: [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride.
Chemical Property Profile of Cornecain
Property Insights of Cornecain
The XLogP value of -2.83 indicates that Cornecain is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cornecain. Following Lipinski's Rule of Five, Cornecain has 3 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 Cornecain?
The CAS number of Cornecain is 4172-63-8.
What is the molecular formula of Cornecain?
The molecular formula of Cornecain is C15H25ClN2O3.
What is the molecular weight of Cornecain?
The molecular weight of Cornecain is 316.16 g/mol.
Where can I buy Cornecain?
You can request a quote for Cornecain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cornecain?
Yes, KEHONG BIO provides custom synthesis services for Cornecain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.