BAS 00776944
TL;DR: BAS 00776944 (CAS 333344-12-0) is a chemical compound with molecular formula C27H24FN3O2 and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Also Known As: BAS 00776944, 3,5-Pyridinedicarboxamide, 4-(2-fluorophenyl)-1,4-dihydro-2,6-dimethyl-N3,N5-diphenyl-, 4-(2-F-PHENYL)-2,6-DIMETHYL-N(3),N(5)-DIPHENYL-1,4-2H-3,5-PYRIDINEDICARBOXAMIDE, 4-(2-fluorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide, 4-(2-fluorophenyl)-2,6-dimethyl-N,N'-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
| Molecular Formula | C27H24FN3O2 |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18524 |
| Heavy Atoms | 33 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 333344-12-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4 |
| InChIKey | WKFYBOVPVUOEHD-UHFFFAOYSA-N |
Product Overview
BAS 00776944 (CAS 333344-12-0), with molecular formula C27H24FN3O2 and molecular weight 441.19 g/mol. IUPAC: 4-(2-fluorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.
Chemical Property Profile of BAS 00776944
Property Insights of BAS 00776944
The XLogP value of 4.6 indicates that BAS 00776944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00776944. Following Lipinski's Rule of Five, BAS 00776944 has 3 hydrogen bond donor(s) and 4 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 00776944?
The CAS number of BAS 00776944 is 333344-12-0.
What is the molecular formula of BAS 00776944?
The molecular formula of BAS 00776944 is C27H24FN3O2.
What is the molecular weight of BAS 00776944?
The molecular weight of BAS 00776944 is 441.19 g/mol.
Where can I buy BAS 00776944?
You can request a quote for BAS 00776944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776944?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.