黄酮-8-乙酸二甲氨基乙酯
TL;DR: 黄酮-8-乙酸二甲氨基乙酯 (CAS 138531-34-7) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄酮-8-乙酸二甲氨基乙酯
2-(dimethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate
Also Known As: Faa ester, Dimethylaminoethyl flavone-8-acetate, Flavone-8-acetic acid dimethylaminoethyl ester, flavone-8-aceticaciddimethylaminoethylester, 2-(dimethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 138531-34-7 |
|---|---|
| SMILES | CN(C)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3 |
| InChIKey | NTVWZYDMHQRDFI-UHFFFAOYSA-N |
Product Overview
黄酮-8-乙酸二甲氨基乙酯 (CAS 138531-34-7), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate.
Chemical Property Profile of 黄酮-8-乙酸二甲氨基乙酯
Property Insights of 黄酮-8-乙酸二甲氨基乙酯
The XLogP value of 3.0 indicates that 黄酮-8-乙酸二甲氨基乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 黄酮-8-乙酸二甲氨基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黄酮-8-乙酸二甲氨基乙酯 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 黄酮-8-乙酸二甲氨基乙酯?
The CAS number of 黄酮-8-乙酸二甲氨基乙酯 is 138531-34-7.
What is the molecular formula of 黄酮-8-乙酸二甲氨基乙酯?
The molecular formula of 黄酮-8-乙酸二甲氨基乙酯 is C21H21NO4.
What is the molecular weight of 黄酮-8-乙酸二甲氨基乙酯?
The molecular weight of 黄酮-8-乙酸二甲氨基乙酯 is 351.15 g/mol.
Where can I buy 黄酮-8-乙酸二甲氨基乙酯?
You can request a quote for 黄酮-8-乙酸二甲氨基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄酮-8-乙酸二甲氨基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 黄酮-8-乙酸二甲氨基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.