A3077/0130111
TL;DR: A3077/0130111 (CAS 540774-27-4) is a chemical compound with molecular formula C30H27ClN4OS and molecular weight 526.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-N-(2-methoxyphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: A3077/0130111, 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide, 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
| Molecular Formula | C30H27ClN4OS |
|---|---|
| Molecular Weight | 526.16 g/mol |
| LogP | 7.56412 |
| Topological Polar Surface Area | 43.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.1594 |
| Heavy Atoms | 37 |
| Complexity | 1616.668 |
Chemical Identifiers
| CAS Number | 540774-27-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6OC |
Product Overview
A3077/0130111 (CAS 540774-27-4), with molecular formula C30H27ClN4OS and molecular weight 526.16 g/mol. IUPAC: 6-(4-chlorophenyl)-N-(2-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 A3077/0130111
Property Insights of A3077/0130111
The XLogP value of 7.56412 indicates that A3077/0130111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.49 Ų, A3077/0130111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3077/0130111 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3077/0130111?
The CAS number of A3077/0130111 is 540774-27-4.
What is the molecular formula of A3077/0130111?
The molecular formula of A3077/0130111 is C30H27ClN4OS.
What is the molecular weight of A3077/0130111?
The molecular weight of A3077/0130111 is 526.16 g/mol.
Where can I buy A3077/0130111?
You can request a quote for A3077/0130111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3077/0130111?
Yes, KEHONG BIO provides custom synthesis services for A3077/0130111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.