A3964/0168945
TL;DR: A3964/0168945 (CAS 844458-23-7) is a chemical compound with molecular formula C29H22Cl3N3O and molecular weight 533.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3964/0168945, N-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N~2~-(3-CHLOROPHENYL)-4-(3,4-DICHLOROPHENYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C29H22Cl3N3O |
|---|---|
| Molecular Weight | 533.08 g/mol |
| LogP | 8.6236 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 533.0828 |
| Heavy Atoms | 36 |
| Complexity | 1618.3511 |
Chemical Identifiers
| CAS Number | 844458-23-7 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
A3964/0168945 (CAS 844458-23-7), with molecular formula C29H22Cl3N3O and molecular weight 533.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3964/0168945
Property Insights of A3964/0168945
The XLogP value of 8.6236 indicates that A3964/0168945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, A3964/0168945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3964/0168945 has 1 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 A3964/0168945?
The CAS number of A3964/0168945 is 844458-23-7.
What is the molecular formula of A3964/0168945?
The molecular formula of A3964/0168945 is C29H22Cl3N3O.
What is the molecular weight of A3964/0168945?
The molecular weight of A3964/0168945 is 533.08 g/mol.
Where can I buy A3964/0168945?
You can request a quote for A3964/0168945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3964/0168945?
Yes, KEHONG BIO provides custom synthesis services for A3964/0168945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.