6N-439S
TL;DR: 6N-439S (CAS 866049-13-0) is a chemical compound with molecular formula C30H29N3OS2 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]phenyl]benzamide
Also Known As: 6N-439S, 3-methyl-N-[2-({2-[(4-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinyl}sulfanyl)phenyl]benzenecarboxamide, 3-methyl-N-{2-[(2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]phenyl}benzamide, 3-methyl-N-[2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]phenyl]benzamide
| Molecular Formula | C30H29N3OS2 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 7.66804 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.1752 |
| Heavy Atoms | 36 |
| Complexity | 1385.5901 |
Chemical Identifiers
| CAS Number | 866049-13-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=N2)SC4=CC=CC=C4NC(=O)C5=CC=CC(=C5)C |
Product Overview
6N-439S (CAS 866049-13-0), with molecular formula C30H29N3OS2 and molecular weight 511.18 g/mol. IUPAC: 3-methyl-N-[2-[[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]phenyl]benzamide.
Chemical Property Profile of 6N-439S
Property Insights of 6N-439S
The XLogP value of 7.66804 indicates that 6N-439S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 6N-439S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6N-439S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6N-439S?
The CAS number of 6N-439S is 866049-13-0.
What is the molecular formula of 6N-439S?
The molecular formula of 6N-439S is C30H29N3OS2.
What is the molecular weight of 6N-439S?
The molecular weight of 6N-439S is 511.18 g/mol.
Where can I buy 6N-439S?
You can request a quote for 6N-439S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-439S?
Yes, KEHONG BIO provides custom synthesis services for 6N-439S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.