AB00076823-01
TL;DR: AB00076823-01 (CAS 413618-81-2) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00076823-01, 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(7-methoxy(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-5-oxo-4H-6,7,8-trihydr ochromene-3-carbonitrile, 2-amino-4-(7-methoxybenzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 2.23868 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 878.188 |
Chemical Identifiers
| CAS Number | 413618-81-2 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N |
Product Overview
AB00076823-01 (CAS 413618-81-2), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: 2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00076823-01
Property Insights of AB00076823-01
The XLogP value of 2.23868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00076823-01. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00076823-01. Following Lipinski's Rule of Five, AB00076823-01 has 1 hydrogen bond donor(s) and 7 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 AB00076823-01?
The CAS number of AB00076823-01 is 413618-81-2.
What is the molecular formula of AB00076823-01?
The molecular formula of AB00076823-01 is C18H16N2O5.
What is the molecular weight of AB00076823-01?
The molecular weight of AB00076823-01 is 340.11 g/mol.
Where can I buy AB00076823-01?
You can request a quote for AB00076823-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00076823-01?
Yes, KEHONG BIO provides custom synthesis services for AB00076823-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.