6N-413S
TL;DR: 6N-413S (CAS 343374-09-4) is a chemical compound with molecular formula C22H21ClN2S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)sulfanyl-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline
Also Known As: 6N-413S, 3-chlorophenyl 2-[(4-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinyl sulfide, 4-(3-chlorophenyl)sulfanyl-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline, 4-[(3-chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline
| Molecular Formula | C22H21ClN2S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 6.76072 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.08347 |
| Heavy Atoms | 27 |
| Complexity | 941.54285 |
Chemical Identifiers
| CAS Number | 343374-09-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SC4=CC(=CC=C4)Cl |
Product Overview
6N-413S (CAS 343374-09-4), with molecular formula C22H21ClN2S2 and molecular weight 412.08 g/mol. IUPAC: 4-(3-chlorophenyl)sulfanyl-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 6N-413S
Property Insights of 6N-413S
The XLogP value of 6.76072 indicates that 6N-413S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 6N-413S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6N-413S 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 6N-413S?
The CAS number of 6N-413S is 343374-09-4.
What is the molecular formula of 6N-413S?
The molecular formula of 6N-413S is C22H21ClN2S2.
What is the molecular weight of 6N-413S?
The molecular weight of 6N-413S is 412.08 g/mol.
Where can I buy 6N-413S?
You can request a quote for 6N-413S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-413S?
Yes, KEHONG BIO provides custom synthesis services for 6N-413S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.