BAS 00727732
TL;DR: BAS 00727732 (CAS 331981-36-3) is a chemical compound with molecular formula C26H24N4O6 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 00727732, 2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy)-N-(3-nitrophenyl)acetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))phenox y]-N-(3-nitrophenyl)acetamide, 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenoxy]-N-(3-nitro-phenyl)-acetamide
| Molecular Formula | C26H24N4O6 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 4.06318 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1696 |
| Heavy Atoms | 36 |
| Complexity | 1351.2345 |
Chemical Identifiers
| CAS Number | 331981-36-3 |
|---|---|
| SMILES | CC1(CC2=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)C |
Product Overview
BAS 00727732 (CAS 331981-36-3), with molecular formula C26H24N4O6 and molecular weight 488.17 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00727732
Property Insights of BAS 00727732
The XLogP value of 4.06318 indicates that BAS 00727732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.58 Ų indicates high polarity, suggesting BAS 00727732 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00727732 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 00727732?
The CAS number of BAS 00727732 is 331981-36-3.
What is the molecular formula of BAS 00727732?
The molecular formula of BAS 00727732 is C26H24N4O6.
What is the molecular weight of BAS 00727732?
The molecular weight of BAS 00727732 is 488.17 g/mol.
Where can I buy BAS 00727732?
You can request a quote for BAS 00727732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00727732?
Yes, KEHONG BIO provides custom synthesis services for BAS 00727732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.