3J-540S
TL;DR: 3J-540S (CAS 317833-55-9) is a chemical compound with molecular formula C27H26F2N2O2 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-4-(2,6-difluorobenzoyl)-3-methyl-3H-quinoxalin-2-one
Also Known As: 3J-540S, 1-[4-(tert-butyl)benzyl]-4-(2,6-difluorobenzoyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone, 1-[(4-tert-butylphenyl)methyl]-4-(2,6-difluorobenzoyl)-3-methyl-3H-quinoxalin-2-one, 1-[(4-tert-butylphenyl)methyl]-4-(2,6-difluorobenzoyl)-3-methyl-1,2,3,4-tetrahydroquinoxalin-2-one, 4-(2,6-difluorobenzoyl)-3-methyl-1-[(4-tert-butylphenyl)methyl]-3H-quinoxalin-2-one
| Molecular Formula | C27H26F2N2O2 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 5.8444 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.19623 |
| Heavy Atoms | 33 |
| Complexity | 1195.2861 |
Chemical Identifiers
| CAS Number | 317833-55-9 |
|---|---|
| SMILES | CC1C(=O)N(C2=CC=CC=C2N1C(=O)C3=C(C=CC=C3F)F)CC4=CC=C(C=C4)C(C)(C)C |
Product Overview
3J-540S (CAS 317833-55-9), with molecular formula C27H26F2N2O2 and molecular weight 448.20 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-4-(2,6-difluorobenzoyl)-3-methyl-3H-quinoxalin-2-one.
Chemical Property Profile of 3J-540S
Property Insights of 3J-540S
The XLogP value of 5.8444 indicates that 3J-540S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3J-540S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-540S has 0 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 3J-540S?
The CAS number of 3J-540S is 317833-55-9.
What is the molecular formula of 3J-540S?
The molecular formula of 3J-540S is C27H26F2N2O2.
What is the molecular weight of 3J-540S?
The molecular weight of 3J-540S is 448.20 g/mol.
Where can I buy 3J-540S?
You can request a quote for 3J-540S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-540S?
Yes, KEHONG BIO provides custom synthesis services for 3J-540S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.