AB01312114-01
TL;DR: AB01312114-01 (CAS 858762-61-5) is a chemical compound with molecular formula C27H20O9 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: AB01312114-01, 4-oxo-3-(4-(propoxycarbonyl)phenoxy)-4H-chromen-7-yl benzo[d][1,3]dioxole-5-carboxylate, F3385-2850, [4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate, 4-oxo-3-[4-(propoxycarbonyl)phenoxy]-4H-chromen-7-yl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C27H20O9 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 110.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.11072 |
| Heavy Atoms | 36 |
| Complexity | 1502.461 |
Chemical Identifiers
| CAS Number | 858762-61-5 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
AB01312114-01 (CAS 858762-61-5), with molecular formula C27H20O9 and molecular weight 488.11 g/mol. IUPAC: [4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of AB01312114-01
Property Insights of AB01312114-01
The XLogP value of 5.1 indicates that AB01312114-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312114-01. Following Lipinski's Rule of Five, AB01312114-01 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01312114-01?
The CAS number of AB01312114-01 is 858762-61-5.
What is the molecular formula of AB01312114-01?
The molecular formula of AB01312114-01 is C27H20O9.
What is the molecular weight of AB01312114-01?
The molecular weight of AB01312114-01 is 488.11 g/mol.
Where can I buy AB01312114-01?
You can request a quote for AB01312114-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312114-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312114-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.