N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)
TL;DR: N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) (CAS 130189-64-9) is a chemical compound with molecular formula C40H30N6S2 and molecular weight 658.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenylthiourea
Also Known As: N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea), 2,8-Di(N1-phenylthiourea-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'-phenyl-, 1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenylthiourea, BRN 4222421
| Molecular Formula | C40H30N6S2 |
|---|---|
| Molecular Weight | 658.20 g/mol |
| LogP | 9.956 |
| Topological Polar Surface Area | 72.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 658.1973 |
| Heavy Atoms | 48 |
| Complexity | 1992.7574 |
Chemical Identifiers
| CAS Number | 130189-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)C(=NC5=C2C=C(C=C5)NC(=S)NC6=CC=CC=C6)C7=CC=CC=C7 |
Product Overview
N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) (CAS 130189-64-9), with molecular formula C40H30N6S2 and molecular weight 658.20 g/mol. IUPAC: 1-[6,12-diphenyl-2-(phenylcarbamothioylamino)benzo[c][1,5]benzodiazocin-8-yl]-3-phenylthiourea.
Chemical Property Profile of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)
Property Insights of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)
The XLogP value of 9.956 indicates that N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) 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'-phenylthiourea). Following Lipinski's Rule of Five, N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) 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'-phenylthiourea)?
The CAS number of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) is 130189-64-9.
What is the molecular formula of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)?
The molecular formula of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) is C40H30N6S2.
What is the molecular weight of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)?
The molecular weight of N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) is 658.20 g/mol.
Where can I buy N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea)?
You can request a quote for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) 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'-phenylthiourea)?
Yes, KEHONG BIO provides custom synthesis services for N,N''-(6,12-Diphenyldibenzo(b,f)(1,5)diazocin-2,8-diyl)bis(N'-phenylthiourea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.