A3962/0168837
TL;DR: A3962/0168837 (CAS 497864-84-3) is a chemical compound with molecular formula C31H28ClN3S and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-N,2-bis(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168837, 1-(4-chlorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 1-(4-chlorophenyl)-N,4-di-p-tolyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 1-(4-CHLOROPHENYL)-N~2~,4-BIS(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C31H28ClN3S |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 8.46894 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.16925 |
| Heavy Atoms | 36 |
| Complexity | 1572.9073 |
Chemical Identifiers
| CAS Number | 497864-84-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)C |
Product Overview
A3962/0168837 (CAS 497864-84-3), with molecular formula C31H28ClN3S and molecular weight 509.17 g/mol. IUPAC: 6-(4-chlorophenyl)-N,2-bis(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3962/0168837
Property Insights of A3962/0168837
The XLogP value of 8.46894 indicates that A3962/0168837 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, A3962/0168837 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168837 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3962/0168837?
The CAS number of A3962/0168837 is 497864-84-3.
What is the molecular formula of A3962/0168837?
The molecular formula of A3962/0168837 is C31H28ClN3S.
What is the molecular weight of A3962/0168837?
The molecular weight of A3962/0168837 is 509.17 g/mol.
Where can I buy A3962/0168837?
You can request a quote for A3962/0168837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168837?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.