BAS 00851095
TL;DR: BAS 00851095 (CAS 332040-71-8) is a chemical compound with molecular formula C26H25N3O4 and molecular weight 443.18 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-phenylacetamide
Also Known As: BAS 00851095, 2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy)-N-phenylacetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-phenylacetamide, 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))phenox y]-N-phenylacetamide, 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenoxy]-N-phenyl-acetamide
| Molecular Formula | C26H25N3O4 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 4.15498 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1845 |
| Heavy Atoms | 33 |
| Complexity | 1188.2928 |
Chemical Identifiers
| CAS Number | 332040-71-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)C(=O)C1)C |
Product Overview
BAS 00851095 (CAS 332040-71-8), with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-phenylacetamide.
Chemical Property Profile of BAS 00851095
Property Insights of BAS 00851095
The XLogP value of 4.15498 indicates that BAS 00851095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00851095. Following Lipinski's Rule of Five, BAS 00851095 has 2 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 00851095?
The CAS number of BAS 00851095 is 332040-71-8.
What is the molecular formula of BAS 00851095?
The molecular formula of BAS 00851095 is C26H25N3O4.
What is the molecular weight of BAS 00851095?
The molecular weight of BAS 00851095 is 443.18 g/mol.
Where can I buy BAS 00851095?
You can request a quote for BAS 00851095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00851095?
Yes, KEHONG BIO provides custom synthesis services for BAS 00851095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.