BAS 06900813
TL;DR: BAS 06900813 (CAS 497076-04-7) is a chemical compound with molecular formula C19H14ClN3O2 and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 06900813, 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(2-chloro(3-quinolyl))-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitril e, 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C19H14ClN3O2 |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 3.70298 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.07745 |
| Heavy Atoms | 25 |
| Complexity | 1016.99146 |
Chemical Identifiers
| CAS Number | 497076-04-7 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=CC=CC=C4N=C3Cl)C(=O)C1 |
Product Overview
BAS 06900813 (CAS 497076-04-7), with molecular formula C19H14ClN3O2 and molecular weight 351.08 g/mol. IUPAC: 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 06900813
Property Insights of BAS 06900813
The XLogP value of 3.70298 indicates that BAS 06900813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900813. Following Lipinski's Rule of Five, BAS 06900813 has 1 hydrogen bond donor(s) and 5 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 06900813?
The CAS number of BAS 06900813 is 497076-04-7.
What is the molecular formula of BAS 06900813?
The molecular formula of BAS 06900813 is C19H14ClN3O2.
What is the molecular weight of BAS 06900813?
The molecular weight of BAS 06900813 is 351.08 g/mol.
Where can I buy BAS 06900813?
You can request a quote for BAS 06900813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900813?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.