![N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide structure](/static/products/488/488706-56-5.png)
N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
TL;DR: N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide (CAS 488706-56-5) is a chemical compound with molecular formula C30H25ClFN3S and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C30H25ClFN3S |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 8.29962 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.14417 |
| Heavy Atoms | 36 |
| Complexity | 1579.2808 |
Chemical Identifiers
| CAS Number | 488706-56-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)F)C(=S)NC6=CC=C(C=C6)Cl |
Product Overview
N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide (CAS 488706-56-5), with molecular formula C30H25ClFN3S and molecular weight 513.14 g/mol. IUPAC: N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Property Insights of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
The XLogP value of 8.29962 indicates that N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.37 Ų, N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide has 1 hydrogen bond donor(s) and 1 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-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The CAS number of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is 488706-56-5.
What is the molecular formula of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The molecular formula of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is C30H25ClFN3S.
What is the molecular weight of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The molecular weight of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is 513.14 g/mol.
Where can I buy N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
You can request a quote for N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-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-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.