N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)
TL;DR: N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) (CAS 130189-65-0) is a chemical compound with molecular formula C42H34N6S2 and molecular weight 686.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea
Also Known As: N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea), 2,8-Di(N1-methylphenylthiourea-N3-yl)-6,12-diphenyldibenzo(b,f)(1,5)diazocine, Thiourea, N,N''-(6,12-diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)-, 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea, BRN 4223249
| Molecular Formula | C42H34N6S2 |
|---|---|
| Molecular Weight | 686.23 g/mol |
| LogP | 10.57284 |
| Topological Polar Surface Area | 72.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 686.22864 |
| Heavy Atoms | 50 |
| Complexity | 2082.8823 |
Chemical Identifiers
| CAS Number | 130189-65-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=S)NC5=CC=C(C=C5)C)N=C3C6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) (CAS 130189-65-0), with molecular formula C42H34N6S2 and molecular weight 686.23 g/mol. IUPAC: 1-(4-methylphenyl)-3-[2-[(4-methylphenyl)carbamothioylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]thiourea.
Chemical Property Profile of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)
Property Insights of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)
The XLogP value of 10.57284 indicates that N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea). Following Lipinski's Rule of Five, N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)?
The CAS number of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) is 130189-65-0.
What is the molecular formula of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)?
The molecular formula of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) is C42H34N6S2.
What is the molecular weight of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)?
The molecular weight of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) is 686.23 g/mol.
Where can I buy N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)?
You can request a quote for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea)?
Yes, KEHONG BIO provides custom synthesis services for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-(4-methylphenyl)thiourea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.