A3963/0168889
TL;DR: A3963/0168889 (CAS 488102-19-8) 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.
N-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3963/0168889, N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N~2~-(4-CHLOROPHENYL)-4-(4-METHOXYPHENYL)-1-(4-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 | 1596.2897 |
Chemical Identifiers
| CAS Number | 488102-19-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)Cl |
Product Overview
A3963/0168889 (CAS 488102-19-8), with molecular formula C31H28ClN3OS and molecular weight 525.16 g/mol. IUPAC: N-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3963/0168889
Property Insights of A3963/0168889
The XLogP value of 8.16912 indicates that A3963/0168889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.6 Ų, A3963/0168889 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3963/0168889 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 A3963/0168889?
The CAS number of A3963/0168889 is 488102-19-8.
What is the molecular formula of A3963/0168889?
The molecular formula of A3963/0168889 is C31H28ClN3OS.
What is the molecular weight of A3963/0168889?
The molecular weight of A3963/0168889 is 525.16 g/mol.
Where can I buy A3963/0168889?
You can request a quote for A3963/0168889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3963/0168889?
Yes, KEHONG BIO provides custom synthesis services for A3963/0168889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.