BAS 00457653
TL;DR: BAS 00457653 (CAS 331674-62-5) is a chemical compound with molecular formula C28H29NO and molecular weight 395.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(4-propan-2-ylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: BAS 00457653, 2,2-dimethyl-5-(4-propan-2-ylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, A1879/0079098, 5-(4-isopropylphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 2,2-dimethyl-5-[4-(propan-2-yl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C28H29NO |
|---|---|
| Molecular Weight | 395.22 g/mol |
| LogP | 7.2727 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.2249 |
| Heavy Atoms | 30 |
| Complexity | 1180.9896 |
Chemical Identifiers
| CAS Number | 331674-62-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54 |
Product Overview
BAS 00457653 (CAS 331674-62-5), with molecular formula C28H29NO and molecular weight 395.22 g/mol. IUPAC: 2,2-dimethyl-5-(4-propan-2-ylphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00457653
Property Insights of BAS 00457653
The XLogP value of 7.2727 indicates that BAS 00457653 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 00457653 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00457653 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 00457653?
The CAS number of BAS 00457653 is 331674-62-5.
What is the molecular formula of BAS 00457653?
The molecular formula of BAS 00457653 is C28H29NO.
What is the molecular weight of BAS 00457653?
The molecular weight of BAS 00457653 is 395.22 g/mol.
Where can I buy BAS 00457653?
You can request a quote for BAS 00457653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00457653?
Yes, KEHONG BIO provides custom synthesis services for BAS 00457653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.