BAS 01280166
TL;DR: BAS 01280166 (CAS 332177-07-8) is a chemical compound with molecular formula C19H17BrN2O4 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 01280166, 2-Amino-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-Amino-4-(6-bromo-benzo[1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C19H17BrN2O4 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 3.62868 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.03717 |
| Heavy Atoms | 26 |
| Complexity | 939.5929 |
Chemical Identifiers
| CAS Number | 332177-07-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)C1)C |
Product Overview
BAS 01280166 (CAS 332177-07-8), with molecular formula C19H17BrN2O4 and molecular weight 416.04 g/mol. IUPAC: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 01280166
Property Insights of BAS 01280166
The XLogP value of 3.62868 indicates that BAS 01280166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01280166. Following Lipinski's Rule of Five, BAS 01280166 has 1 hydrogen bond donor(s) and 6 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 01280166?
The CAS number of BAS 01280166 is 332177-07-8.
What is the molecular formula of BAS 01280166?
The molecular formula of BAS 01280166 is C19H17BrN2O4.
What is the molecular weight of BAS 01280166?
The molecular weight of BAS 01280166 is 416.04 g/mol.
Where can I buy BAS 01280166?
You can request a quote for BAS 01280166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01280166?
Yes, KEHONG BIO provides custom synthesis services for BAS 01280166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.