BAS 07093568
TL;DR: BAS 07093568 (CAS 339580-25-5) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 07093568, 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, AB00078674-01, AB00078674-04, 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.69988 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 791.9229 |
Chemical Identifiers
| CAS Number | 339580-25-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N |
Product Overview
BAS 07093568 (CAS 339580-25-5), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 07093568
Property Insights of BAS 07093568
The XLogP value of 3.69988 indicates that BAS 07093568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07093568. Following Lipinski's Rule of Five, BAS 07093568 has 1 hydrogen bond donor(s) and 4 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 BAS 07093568?
The CAS number of BAS 07093568 is 339580-25-5.
What is the molecular formula of BAS 07093568?
The molecular formula of BAS 07093568 is C20H22N2O2.
What is the molecular weight of BAS 07093568?
The molecular weight of BAS 07093568 is 322.17 g/mol.
Where can I buy BAS 07093568?
You can request a quote for BAS 07093568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07093568?
Yes, KEHONG BIO provides custom synthesis services for BAS 07093568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.