A3962/0168839
TL;DR: A3962/0168839 (CAS 488841-06-1) is a chemical compound with molecular formula C31H28ClN3O2S and molecular weight 541.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168839, 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-CHLOROPHENYL)-N~2~,1-BIS(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C31H28ClN3O2S |
|---|---|
| Molecular Weight | 541.16 g/mol |
| LogP | 7.8693 |
| Topological Polar Surface Area | 39.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.15906 |
| Heavy Atoms | 38 |
| Complexity | 1617.7345 |
Chemical Identifiers
| CAS Number | 488841-06-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=C(C=C6)OC |
Product Overview
A3962/0168839 (CAS 488841-06-1), with molecular formula C31H28ClN3O2S and molecular weight 541.16 g/mol. IUPAC: 2-(4-chlorophenyl)-N,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3962/0168839
Property Insights of A3962/0168839
The XLogP value of 7.8693 indicates that A3962/0168839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.83 Ų, A3962/0168839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168839 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3962/0168839?
The CAS number of A3962/0168839 is 488841-06-1.
What is the molecular formula of A3962/0168839?
The molecular formula of A3962/0168839 is C31H28ClN3O2S.
What is the molecular weight of A3962/0168839?
The molecular weight of A3962/0168839 is 541.16 g/mol.
Where can I buy A3962/0168839?
You can request a quote for A3962/0168839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168839?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.