![1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide structure](/static/products/540/540773-67-9.png)
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
TL;DR: 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide (CAS 540773-67-9) is a chemical compound with molecular formula C30H26N4O2S and molecular weight 506.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,1-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
| Molecular Formula | C30H26N4O2S |
|---|---|
| Molecular Weight | 506.18 g/mol |
| LogP | 6.3649 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.17764 |
| Heavy Atoms | 37 |
| Complexity | 1622.4229 |
Chemical Identifiers
| CAS Number | 540773-67-9 |
|---|---|
| SMILES | C1CCN2C3=C(C1)C(=C(N3N=C2C4=CC=CC=C4)C(=S)NC5=CC=CC=C5)C6=CC7=C(C=C6)OCCO7 |
Product Overview
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide (CAS 540773-67-9), with molecular formula C30H26N4O2S and molecular weight 506.18 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
Property Insights of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
The XLogP value of 6.3649 indicates that 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[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 52.72 Ų, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-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 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide?
The CAS number of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide is 540773-67-9.
What is the molecular formula of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide?
The molecular formula of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide is C30H26N4O2S.
What is the molecular weight of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide?
The molecular weight of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide is 506.18 g/mol.
Where can I buy 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide?
You can request a quote for 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[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 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.