RefChem:1080477
TL;DR: RefChem:1080477 (CAS 66859-65-2) is a chemical compound with molecular formula C22H36ClNO4 and molecular weight 413.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride
Also Known As: Butyric acid, 3-acetoxy-2-benzyl-, 3-(diethylamino)-2,2-dimethylpropyl ester, hydrochloride, alpha-Benzyl-beta-acetoxybuttersaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol, [3-(3-Acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazaniumchloride, [3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride, BUTYRIC ACID, 3-ACETOXY-2-BENZYL-, 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPYL ESTER, HY
| Molecular Formula | C22H36ClNO4 |
|---|---|
| Molecular Weight | 413.23 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 413.23328 |
| Heavy Atoms | 28 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 66859-65-2 |
|---|---|
| SMILES | CC[NH+](CC)CC(C)(C)COC(=O)C(CC1=CC=CC=C1)C(C)OC(=O)C.[Cl-] |
| InChIKey | ZALZGCIYXVWCAM-UHFFFAOYSA-N |
Product Overview
RefChem:1080477 (CAS 66859-65-2), with molecular formula C22H36ClNO4 and molecular weight 413.23 g/mol. IUPAC: [3-(3-acetyloxy-2-benzylbutanoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:1080477
Property Insights of RefChem:1080477
The XLogP value of -0.7 indicates that RefChem:1080477 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:1080477 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080477 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:1080477?
The CAS number of RefChem:1080477 is 66859-65-2.
What is the molecular formula of RefChem:1080477?
The molecular formula of RefChem:1080477 is C22H36ClNO4.
What is the molecular weight of RefChem:1080477?
The molecular weight of RefChem:1080477 is 413.23 g/mol.
Where can I buy RefChem:1080477?
You can request a quote for RefChem:1080477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080477?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.