阿伏西地
TL;DR: 阿伏西地 (CAS 146426-40-6) is a chemical compound with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿伏西地
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4S)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Also Known As: Flavopiridol, Alvocidib, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4S)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
| Molecular Formula | C21H20ClNO5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.3046 |
| Topological Polar Surface Area | 94.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.103 |
| Heavy Atoms | 28 |
| Complexity | 1109.8816 |
Chemical Identifiers
| CAS Number | 146426-40-6 |
|---|---|
| SMILES | CN1CC[C@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O |
Product Overview
阿伏西地 (CAS 146426-40-6), with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol. IUPAC: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4S)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one.
Chemical Property Profile of 阿伏西地
Property Insights of 阿伏西地
The XLogP value of 3.3046 indicates that 阿伏西地 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿伏西地. Following Lipinski's Rule of Five, 阿伏西地 has 3 hydrogen bond donor(s) and 6 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 阿伏西地?
The CAS number of 阿伏西地 is 146426-40-6.
What is the molecular formula of 阿伏西地?
The molecular formula of 阿伏西地 is C21H20ClNO5.
What is the molecular weight of 阿伏西地?
The molecular weight of 阿伏西地 is 401.10 g/mol.
Where can I buy 阿伏西地?
You can request a quote for 阿伏西地 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿伏西地?
Yes, KEHONG BIO provides custom synthesis services for 阿伏西地 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.