RefChem:327757
TL;DR: RefChem:327757 (CAS 96111-47-6) is a chemical compound with molecular formula C21H29NO4 and molecular weight 359.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate
Also Known As: o-(3-Allyl-5-methyl-2-oxotetrahydro-3-furyl)benzoic acid 2-(diethylamino)ethyl ester, Benzoic acid, o-(3-allyl-5-methyl-2-oxotetrahydro-3-furyl)-, 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2-[5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolan-3-yl]benzoate, 2-diethylaminoethyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate, 2-(Diethylamino)ethyl 2-[5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolan-3-yl]benzoatato
| Molecular Formula | C21H29NO4 |
|---|---|
| Molecular Weight | 359.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 359.20966 |
| Heavy Atoms | 26 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 96111-47-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1C2(CC(OC2=O)C)CC=C |
| InChIKey | NIOMPBNQUGQPII-UHFFFAOYSA-N |
Product Overview
RefChem:327757 (CAS 96111-47-6), with molecular formula C21H29NO4 and molecular weight 359.21 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate.
Chemical Property Profile of RefChem:327757
Property Insights of RefChem:327757
The XLogP value of 3.9 indicates that RefChem:327757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, RefChem:327757 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327757 has 0 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:327757?
The CAS number of RefChem:327757 is 96111-47-6.
What is the molecular formula of RefChem:327757?
The molecular formula of RefChem:327757 is C21H29NO4.
What is the molecular weight of RefChem:327757?
The molecular weight of RefChem:327757 is 359.21 g/mol.
Where can I buy RefChem:327757?
You can request a quote for RefChem:327757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.