BAS 00666586
TL;DR: BAS 00666586 (CAS 156176-92-0) is a chemical compound with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00666586, 2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, J2.336.707F, AB00074089-01, AB00074089-03
| Molecular Formula | C18H17ClN2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.79088 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.09787 |
| Heavy Atoms | 23 |
| Complexity | 799.48474 |
Chemical Identifiers
| CAS Number | 156176-92-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Cl)C(=O)C1)C |
Product Overview
BAS 00666586 (CAS 156176-92-0), with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol. IUPAC: 2-amino-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00666586
Property Insights of BAS 00666586
The XLogP value of 3.79088 indicates that BAS 00666586 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 00666586. Following Lipinski's Rule of Five, BAS 00666586 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 00666586?
The CAS number of BAS 00666586 is 156176-92-0.
What is the molecular formula of BAS 00666586?
The molecular formula of BAS 00666586 is C18H17ClN2O2.
What is the molecular weight of BAS 00666586?
The molecular weight of BAS 00666586 is 328.10 g/mol.
Where can I buy BAS 00666586?
You can request a quote for BAS 00666586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666586?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.