C40H32ClN7O2S
TL;DR: C40H32ClN7O2S (CAS 139032-28-3) is a chemical compound with molecular formula C40H32ClN7O2S and molecular weight 709.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
Also Known As: 2H-Indol-2-one, 1,3-dihydro-3-((5-((4-(4-chlorophenoxy)phenyl)azo)-4-phenyl-2-thiazolyl)imino)-1-((4-phenyl-1-piperazinyl)methyl)-, BRN 4899859
| Molecular Formula | C40H32ClN7O2S |
|---|---|
| Molecular Weight | 709.20 g/mol |
| LogP | 9.9183 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 709.2027 |
| Heavy Atoms | 51 |
| Complexity | 2200.2102 |
Chemical Identifiers
| CAS Number | 139032-28-3 |
|---|---|
| SMILES | C1CN(CCN1CN2C3=CC=CC=C3/C(=N\C4=NC(=C(S4)N=NC5=CC=C(C=C5)OC6=CC=C(C=C6)Cl)C7=CC=CC=C7)/C2=O)C8=CC=CC=C8 |
Product Overview
C40H32ClN7O2S (CAS 139032-28-3), with molecular formula C40H32ClN7O2S and molecular weight 709.20 g/mol. IUPAC: (3E)-3-[[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one.
Chemical Property Profile of C40H32ClN7O2S
Property Insights of C40H32ClN7O2S
The XLogP value of 9.9183 indicates that C40H32ClN7O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C40H32ClN7O2S. Following Lipinski's Rule of Five, C40H32ClN7O2S has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C40H32ClN7O2S?
The CAS number of C40H32ClN7O2S is 139032-28-3.
What is the molecular formula of C40H32ClN7O2S?
The molecular formula of C40H32ClN7O2S is C40H32ClN7O2S.
What is the molecular weight of C40H32ClN7O2S?
The molecular weight of C40H32ClN7O2S is 709.20 g/mol.
Where can I buy C40H32ClN7O2S?
You can request a quote for C40H32ClN7O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C40H32ClN7O2S?
Yes, KEHONG BIO provides custom synthesis services for C40H32ClN7O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.