BAS 00288809
TL;DR: BAS 00288809 (CAS 330819-54-0) is a chemical compound with molecular formula C25H21BrN2O3 and molecular weight 476.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: BAS 00288809, 6-(2-(4-bromophenyl)-2-oxoethoxy)-3,3-dimethyl-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C25H21BrN2O3 |
|---|---|
| Molecular Weight | 476.07 g/mol |
| LogP | 5.49578 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.07355 |
| Heavy Atoms | 31 |
| Complexity | 1166.1118 |
Chemical Identifiers
| CAS Number | 330819-54-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C |
Product Overview
BAS 00288809 (CAS 330819-54-0), with molecular formula C25H21BrN2O3 and molecular weight 476.07 g/mol. IUPAC: 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00288809
Property Insights of BAS 00288809
The XLogP value of 5.49578 indicates that BAS 00288809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288809. Following Lipinski's Rule of Five, BAS 00288809 has 0 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 00288809?
The CAS number of BAS 00288809 is 330819-54-0.
What is the molecular formula of BAS 00288809?
The molecular formula of BAS 00288809 is C25H21BrN2O3.
What is the molecular weight of BAS 00288809?
The molecular weight of BAS 00288809 is 476.07 g/mol.
Where can I buy BAS 00288809?
You can request a quote for BAS 00288809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288809?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.