A3962/0168856
TL;DR: A3962/0168856 (CAS 488103-83-9) is a chemical compound with molecular formula C30H26ClN3S and molecular weight 495.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(4-chlorophenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3962/0168856, N-benzyl-4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N~2~-BENZYL-4-(4-CHLOROPHENYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOTHIOAMIDE
| Molecular Formula | C30H26ClN3S |
|---|---|
| Molecular Weight | 495.15 g/mol |
| LogP | 7.5298 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.1536 |
| Heavy Atoms | 35 |
| Complexity | 1498.809 |
Chemical Identifiers
| CAS Number | 488103-83-9 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=S)NCC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl |
Product Overview
A3962/0168856 (CAS 488103-83-9), with molecular formula C30H26ClN3S and molecular weight 495.15 g/mol. IUPAC: N-benzyl-2-(4-chlorophenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3962/0168856
Property Insights of A3962/0168856
The XLogP value of 7.5298 indicates that A3962/0168856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, A3962/0168856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168856 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 A3962/0168856?
The CAS number of A3962/0168856 is 488103-83-9.
What is the molecular formula of A3962/0168856?
The molecular formula of A3962/0168856 is C30H26ClN3S.
What is the molecular weight of A3962/0168856?
The molecular weight of A3962/0168856 is 495.15 g/mol.
Where can I buy A3962/0168856?
You can request a quote for A3962/0168856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168856?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.