A3077/0130141
TL;DR: A3077/0130141 (CAS 540774-46-7) is a chemical compound with molecular formula C31H30N4S and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3077/0130141, 1-(4-ethylphenyl)-N-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-ethylphenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
| Molecular Formula | C31H30N4S |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 7.46452 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.21912 |
| Heavy Atoms | 36 |
| Complexity | 1540.9889 |
Chemical Identifiers
| CAS Number | 540774-46-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)C)C(=S)NC6=CC=CC=C6 |
Product Overview
A3077/0130141 (CAS 540774-46-7), with molecular formula C31H30N4S and molecular weight 490.22 g/mol. IUPAC: 6-(4-ethylphenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of A3077/0130141
Property Insights of A3077/0130141
The XLogP value of 7.46452 indicates that A3077/0130141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.26 Ų, A3077/0130141 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3077/0130141 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 A3077/0130141?
The CAS number of A3077/0130141 is 540774-46-7.
What is the molecular formula of A3077/0130141?
The molecular formula of A3077/0130141 is C31H30N4S.
What is the molecular weight of A3077/0130141?
The molecular weight of A3077/0130141 is 490.22 g/mol.
Where can I buy A3077/0130141?
You can request a quote for A3077/0130141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3077/0130141?
Yes, KEHONG BIO provides custom synthesis services for A3077/0130141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.