![N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide structure](/static/products/540/540773-54-4.png)
N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
TL;DR: N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540773-54-4) is a chemical compound with molecular formula C30H27ClN4S and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2,6-bis(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide, N-(4-chlorophenyl)-1,4-di-p-tolyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C30H27ClN4S |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 7.86394 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.1645 |
| Heavy Atoms | 36 |
| Complexity | 1576.0356 |
Chemical Identifiers
| CAS Number | 540773-54-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)C)C(=S)NC6=CC=C(C=C6)Cl |
Product Overview
N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540773-54-4), with molecular formula C30H27ClN4S and molecular weight 510.16 g/mol. IUPAC: N-(4-chlorophenyl)-2,6-bis(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Property Insights of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
The XLogP value of 7.86394 indicates that N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.26 Ų, N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The CAS number of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 540773-54-4.
What is the molecular formula of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular formula of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is C30H27ClN4S.
What is the molecular weight of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular weight of N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 510.16 g/mol.
Where can I buy N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
You can request a quote for N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.