7N-491S
TL;DR: 7N-491S (CAS 339019-37-3) is a chemical compound with molecular formula C25H27ClN2OS and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
Also Known As: 7N-491S, 4-(tert-butyl)phenyl 2-[(2-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinyl ether, 4-(4-tert-butylphenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline, 4-(4-tert-butylphenoxy)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline, 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-tert-butylphenoxy)-5,6,7,8-tetrahydroquinazoline
| Molecular Formula | C25H27ClN2OS |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 7.3909 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.15326 |
| Heavy Atoms | 30 |
| Complexity | 1028.3088 |
Chemical Identifiers
| CAS Number | 339019-37-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NC3=C2CCCC3)SCC4=CC=CC=C4Cl |
Product Overview
7N-491S (CAS 339019-37-3), with molecular formula C25H27ClN2OS and molecular weight 438.15 g/mol. IUPAC: 4-(4-tert-butylphenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 7N-491S
Property Insights of 7N-491S
The XLogP value of 7.3909 indicates that 7N-491S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 7N-491S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7N-491S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7N-491S?
The CAS number of 7N-491S is 339019-37-3.
What is the molecular formula of 7N-491S?
The molecular formula of 7N-491S is C25H27ClN2OS.
What is the molecular weight of 7N-491S?
The molecular weight of 7N-491S is 438.15 g/mol.
Where can I buy 7N-491S?
You can request a quote for 7N-491S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-491S?
Yes, KEHONG BIO provides custom synthesis services for 7N-491S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.