A3962/0168859
TL;DR: A3962/0168859 (CAS 488121-22-8) is a chemical compound with molecular formula C31H28ClN3OS and molecular weight 525.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-(2-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168859, 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(o-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)-N~2~-(2-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C31H28ClN3OS |
|---|---|
| Molecular Weight | 525.16 g/mol |
| LogP | 8.16912 |
| Topological Polar Surface Area | 30.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.1642 |
| Heavy Atoms | 37 |
| Complexity | 1613.5397 |
Chemical Identifiers
| CAS Number | 488121-22-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC |
Product Overview
A3962/0168859 (CAS 488121-22-8), with molecular formula C31H28ClN3OS and molecular weight 525.16 g/mol. IUPAC: 2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-(2-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3962/0168859
Property Insights of A3962/0168859
The XLogP value of 8.16912 indicates that A3962/0168859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A3962/0168859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168859 has 1 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 A3962/0168859?
The CAS number of A3962/0168859 is 488121-22-8.
What is the molecular formula of A3962/0168859?
The molecular formula of A3962/0168859 is C31H28ClN3OS.
What is the molecular weight of A3962/0168859?
The molecular weight of A3962/0168859 is 525.16 g/mol.
Where can I buy A3962/0168859?
You can request a quote for A3962/0168859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168859?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.