A2971/0125182
TL;DR: A2971/0125182 (CAS 540773-94-2) is a chemical compound with molecular formula C28H22Cl2N4O and molecular weight 500.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-6-(4-chlorophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A2971/0125182, N-(3-chlorophenyl)-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carboxamide, N-(3-chlorophenyl)-4-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
| Molecular Formula | C28H22Cl2N4O |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 7.3652 |
| Topological Polar Surface Area | 51.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.11707 |
| Heavy Atoms | 35 |
| Complexity | 1551.9426 |
Chemical Identifiers
| CAS Number | 540773-94-2 |
|---|---|
| SMILES | C1CCN2C3=C(C1)C(=C(N3N=C2C4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl)C6=CC=C(C=C6)Cl |
Product Overview
A2971/0125182 (CAS 540773-94-2), with molecular formula C28H22Cl2N4O and molecular weight 500.12 g/mol. IUPAC: N-(3-chlorophenyl)-6-(4-chlorophenyl)-2-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A2971/0125182
Property Insights of A2971/0125182
The XLogP value of 7.3652 indicates that A2971/0125182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.33 Ų, A2971/0125182 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2971/0125182 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 A2971/0125182?
The CAS number of A2971/0125182 is 540773-94-2.
What is the molecular formula of A2971/0125182?
The molecular formula of A2971/0125182 is C28H22Cl2N4O.
What is the molecular weight of A2971/0125182?
The molecular weight of A2971/0125182 is 500.12 g/mol.
Where can I buy A2971/0125182?
You can request a quote for A2971/0125182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2971/0125182?
Yes, KEHONG BIO provides custom synthesis services for A2971/0125182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.