![N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide structure](/static/products/540/540774-20-7.png)
N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
TL;DR: N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540774-20-7) is a chemical compound with molecular formula C31H30N4O2S and molecular weight 522.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,6-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide, N,1-bis(4-methoxyphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C31H30N4O2S |
|---|---|
| Molecular Weight | 522.21 g/mol |
| LogP | 6.91932 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.2089 |
| Heavy Atoms | 38 |
| Complexity | 1614.4894 |
Chemical Identifiers
| CAS Number | 540774-20-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)OC |
Product Overview
N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540774-20-7), with molecular formula C31H30N4O2S and molecular weight 522.21 g/mol. IUPAC: N,6-bis(4-methoxyphenyl)-2-(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-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Property Insights of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
The XLogP value of 6.91932 indicates that N,4-bis(4-methoxyphenyl)-1-(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 52.72 Ų, N,4-bis(4-methoxyphenyl)-1-(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-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide has 1 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,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The CAS number of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 540774-20-7.
What is the molecular formula of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular formula of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is C31H30N4O2S.
What is the molecular weight of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular weight of N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 522.21 g/mol.
Where can I buy N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
You can request a quote for N,4-bis(4-methoxyphenyl)-1-(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-bis(4-methoxyphenyl)-1-(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-bis(4-methoxyphenyl)-1-(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.