BAS 00442777
TL;DR: BAS 00442777 (CAS 180984-65-0) is a chemical compound with molecular formula C25H22FNO and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00442777, 5-(4-Fluorophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, A1398/0062506, 5-(4-fluorophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(4-FLUOROPHENYL)-2,2-DIMETHYL-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE
| Molecular Formula | C25H22FNO |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.16855 |
| Heavy Atoms | 28 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 180984-65-0 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)F)C(=O)C1)C |
| InChIKey | KJWBQFOAUCFWKJ-UHFFFAOYSA-N |
Product Overview
BAS 00442777 (CAS 180984-65-0), with molecular formula C25H22FNO and molecular weight 371.17 g/mol. IUPAC: 5-(4-fluorophenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00442777
Property Insights of BAS 00442777
The XLogP value of 5.5 indicates that BAS 00442777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, BAS 00442777 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00442777 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00442777?
The CAS number of BAS 00442777 is 180984-65-0.
What is the molecular formula of BAS 00442777?
The molecular formula of BAS 00442777 is C25H22FNO.
What is the molecular weight of BAS 00442777?
The molecular weight of BAS 00442777 is 371.17 g/mol.
Where can I buy BAS 00442777?
You can request a quote for BAS 00442777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442777?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.