![3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one structure](/static/products/4339/433967-62-5.webp)
3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
TL;DR: 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one (CAS 433967-62-5) is a chemical compound with molecular formula C26H25NOS and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Also Known As: 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one, 3,3-dimethyl-5-[4-(methylsulfanyl)phenyl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
| Molecular Formula | C26H25NOS |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 6.8712 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.16568 |
| Heavy Atoms | 29 |
| Complexity | 1157.0468 |
Chemical Identifiers
| CAS Number | 433967-62-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(C=C5)SC)C |
Product Overview
3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one (CAS 433967-62-5), with molecular formula C26H25NOS and molecular weight 399.17 g/mol. IUPAC: 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one.
Chemical Property Profile of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Property Insights of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
The XLogP value of 6.8712 indicates that 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one 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 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one?
The CAS number of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one is 433967-62-5.
What is the molecular formula of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one?
The molecular formula of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one is C26H25NOS.
What is the molecular weight of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one?
The molecular weight of 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one is 399.17 g/mol.
Where can I buy 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one?
You can request a quote for 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-5-(4-methylsulfanylphenyl)-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.