5N-361S
TL;DR: 5N-361S (CAS 478049-58-0) is a chemical compound with molecular formula C23H23ClN2O4S2 and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfonyl]-2-[(4-methylphenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinazoline
Also Known As: 5N-361S, 4-chlorobenzyl 2-[(4-methylbenzyl)sulfonyl]-5,6,7,8-tetrahydro-4-quinazolinyl sulfone, 4-[(4-chlorophenyl)methanesulfonyl]-2-[(4-methylphenyl)methanesulfonyl]-5,6,7,8-tetrahydroquinazoline, 4-[(4-chlorophenyl)methylsulfonyl]-2-[(4-methylphenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinazoline
| Molecular Formula | C23H23ClN2O4S2 |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 4.26502 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.07877 |
| Heavy Atoms | 32 |
| Complexity | 1352.3553 |
Chemical Identifiers
| CAS Number | 478049-58-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)S(=O)(=O)CC4=CC=C(C=C4)Cl |
Product Overview
5N-361S (CAS 478049-58-0), with molecular formula C23H23ClN2O4S2 and molecular weight 490.08 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfonyl]-2-[(4-methylphenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 5N-361S
Property Insights of 5N-361S
The XLogP value of 4.26502 indicates that 5N-361S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5N-361S. Following Lipinski's Rule of Five, 5N-361S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-361S?
The CAS number of 5N-361S is 478049-58-0.
What is the molecular formula of 5N-361S?
The molecular formula of 5N-361S is C23H23ClN2O4S2.
What is the molecular weight of 5N-361S?
The molecular weight of 5N-361S is 490.08 g/mol.
Where can I buy 5N-361S?
You can request a quote for 5N-361S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-361S?
Yes, KEHONG BIO provides custom synthesis services for 5N-361S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.