![4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide structure](/static/products/500/500147-87-5.png)
4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
TL;DR: 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide (CAS 500147-87-5) is a chemical compound with molecular formula C26H24ClN3S and molecular weight 445.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-phenyl-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide, N-allyl-4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C26H24ClN3S |
|---|---|
| Molecular Weight | 445.14 g/mol |
| LogP | 6.5156 |
| Topological Polar Surface Area | 21.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.13794 |
| Heavy Atoms | 31 |
| Complexity | 1265.9758 |
Chemical Identifiers
| CAS Number | 500147-87-5 |
|---|---|
| SMILES | C=CCNC(=S)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide (CAS 500147-87-5), with molecular formula C26H24ClN3S and molecular weight 445.14 g/mol. IUPAC: 2-(4-chlorophenyl)-6-phenyl-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Property Insights of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
The XLogP value of 6.5156 indicates that 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-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, 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-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, 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-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 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The CAS number of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is 500147-87-5.
What is the molecular formula of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The molecular formula of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is C26H24ClN3S.
What is the molecular weight of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
The molecular weight of 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide is 445.14 g/mol.
Where can I buy 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
You can request a quote for 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-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 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-1-phenyl-N-(prop-2-en-1-yl)-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.