BAS 02073004
TL;DR: BAS 02073004 (CAS 85459-90-1) is a chemical compound with molecular formula C22H18Cl2N2O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 02073004, 2-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(5-(3,4-dichlorophenyl)furan-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
| Molecular Formula | C22H18Cl2N2O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 5.70428 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.06946 |
| Heavy Atoms | 29 |
| Complexity | 1135.1664 |
Chemical Identifiers
| CAS Number | 85459-90-1 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C1)C |
Product Overview
BAS 02073004 (CAS 85459-90-1), with molecular formula C22H18Cl2N2O3 and molecular weight 428.07 g/mol. IUPAC: 2-amino-4-[5-(3,4-dichlorophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 02073004
Property Insights of BAS 02073004
The XLogP value of 5.70428 indicates that BAS 02073004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02073004. Following Lipinski's Rule of Five, BAS 02073004 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02073004?
The CAS number of BAS 02073004 is 85459-90-1.
What is the molecular formula of BAS 02073004?
The molecular formula of BAS 02073004 is C22H18Cl2N2O3.
What is the molecular weight of BAS 02073004?
The molecular weight of BAS 02073004 is 428.07 g/mol.
Where can I buy BAS 02073004?
You can request a quote for BAS 02073004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02073004?
Yes, KEHONG BIO provides custom synthesis services for BAS 02073004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.