BAS 00336674
TL;DR: BAS 00336674 (CAS 328268-50-4) is a chemical compound with molecular formula C26H22F3NO and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[2-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00336674, 2,2-dimethyl-5-[2-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 2,2-dimethyl-5-[2-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, A1571/0068501
| Molecular Formula | C26H22F3NO |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 7.1681 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 421.16534 |
| Heavy Atoms | 31 |
| Complexity | 1252.9869 |
Chemical Identifiers
| CAS Number | 328268-50-4 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5C(F)(F)F)C(=O)C1)C |
Product Overview
BAS 00336674 (CAS 328268-50-4), with molecular formula C26H22F3NO and molecular weight 421.17 g/mol. IUPAC: 2,2-dimethyl-5-[2-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00336674
Property Insights of BAS 00336674
The XLogP value of 7.1681 indicates that BAS 00336674 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 00336674 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00336674 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00336674?
The CAS number of BAS 00336674 is 328268-50-4.
What is the molecular formula of BAS 00336674?
The molecular formula of BAS 00336674 is C26H22F3NO.
What is the molecular weight of BAS 00336674?
The molecular weight of BAS 00336674 is 421.17 g/mol.
Where can I buy BAS 00336674?
You can request a quote for BAS 00336674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00336674?
Yes, KEHONG BIO provides custom synthesis services for BAS 00336674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.