A2917/0122909
TL;DR: A2917/0122909 (CAS 540773-52-2) is a chemical compound with molecular formula C22H20ClN3 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: A2917/0122909, 1-(4-chlorophenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene, 4-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
| Molecular Formula | C22H20ClN3 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 5.76792 |
| Topological Polar Surface Area | 22.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.13458 |
| Heavy Atoms | 26 |
| Complexity | 1000.3276 |
Chemical Identifiers
| CAS Number | 540773-52-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl |
Product Overview
A2917/0122909 (CAS 540773-52-2), with molecular formula C22H20ClN3 and molecular weight 361.13 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of A2917/0122909
Property Insights of A2917/0122909
The XLogP value of 5.76792 indicates that A2917/0122909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.23 Ų, A2917/0122909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2917/0122909 has 0 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 A2917/0122909?
The CAS number of A2917/0122909 is 540773-52-2.
What is the molecular formula of A2917/0122909?
The molecular formula of A2917/0122909 is C22H20ClN3.
What is the molecular weight of A2917/0122909?
The molecular weight of A2917/0122909 is 361.13 g/mol.
Where can I buy A2917/0122909?
You can request a quote for A2917/0122909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2917/0122909?
Yes, KEHONG BIO provides custom synthesis services for A2917/0122909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.