BAS 01029686
TL;DR: BAS 01029686 (CAS 333778-08-8) is a chemical compound with molecular formula C24H20N4O6 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 01029686, 2-(4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy)-N-(3-nitrophenyl)acetamide, 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide, 2-[4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenoxy]-N-(3-nitro-phenyl)-acetamide
| Molecular Formula | C24H20N4O6 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 3.42708 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.13828 |
| Heavy Atoms | 34 |
| Complexity | 1273.1135 |
Chemical Identifiers
| CAS Number | 333778-08-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1 |
Product Overview
BAS 01029686 (CAS 333778-08-8), with molecular formula C24H20N4O6 and molecular weight 460.14 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 01029686
Property Insights of BAS 01029686
The XLogP value of 3.42708 indicates that BAS 01029686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.58 Ų indicates high polarity, suggesting BAS 01029686 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01029686 has 2 hydrogen bond donor(s) and 8 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 01029686?
The CAS number of BAS 01029686 is 333778-08-8.
What is the molecular formula of BAS 01029686?
The molecular formula of BAS 01029686 is C24H20N4O6.
What is the molecular weight of BAS 01029686?
The molecular weight of BAS 01029686 is 460.14 g/mol.
Where can I buy BAS 01029686?
You can request a quote for BAS 01029686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029686?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.