AB01312066-01
TL;DR: AB01312066-01 (CAS 858754-22-0) is a chemical compound with molecular formula C23H22O6 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-methyl-7-(2-methylprop-2-enoxy)-4-oxochromen-3-yl]oxybenzoate
Also Known As: AB01312066-01, ethyl 4-({2-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate, F3385-2837, ethyl 4-[2-methyl-7-(2-methylprop-2-enoxy)-4-oxochromen-3-yl]oxybenzoate, ethyl 4-[2-methyl-7-(2-methylprop-2-enyloxy)-4-oxochromen-3-yloxy]benzoate
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 5.02532 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 1108.6565 |
Chemical Identifiers
| CAS Number | 858754-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(=C)C)C |
Product Overview
AB01312066-01 (CAS 858754-22-0), with molecular formula C23H22O6 and molecular weight 394.14 g/mol. IUPAC: ethyl 4-[2-methyl-7-(2-methylprop-2-enoxy)-4-oxochromen-3-yl]oxybenzoate.
Chemical Property Profile of AB01312066-01
Property Insights of AB01312066-01
The XLogP value of 5.02532 indicates that AB01312066-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312066-01. Following Lipinski's Rule of Five, AB01312066-01 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01312066-01?
The CAS number of AB01312066-01 is 858754-22-0.
What is the molecular formula of AB01312066-01?
The molecular formula of AB01312066-01 is C23H22O6.
What is the molecular weight of AB01312066-01?
The molecular weight of AB01312066-01 is 394.14 g/mol.
Where can I buy AB01312066-01?
You can request a quote for AB01312066-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312066-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312066-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.