A3962/0168861
TL;DR: A3962/0168861 (CAS 488853-68-5) is a chemical compound with molecular formula C30H25Cl2N3O and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3962/0168861, N-(3,4-dichlorophenyl)-1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3,4-dichlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N~2~-(3,4-DICHLOROPHENYL)-4-(4-METHYLPHENYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C30H25Cl2N3O |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 8.27862 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.13745 |
| Heavy Atoms | 36 |
| Complexity | 1597.5308 |
Chemical Identifiers
| CAS Number | 488853-68-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC(=C(C=C6)Cl)Cl |
Product Overview
A3962/0168861 (CAS 488853-68-5), with molecular formula C30H25Cl2N3O and molecular weight 513.14 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3962/0168861
Property Insights of A3962/0168861
The XLogP value of 8.27862 indicates that A3962/0168861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, A3962/0168861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168861 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 A3962/0168861?
The CAS number of A3962/0168861 is 488853-68-5.
What is the molecular formula of A3962/0168861?
The molecular formula of A3962/0168861 is C30H25Cl2N3O.
What is the molecular weight of A3962/0168861?
The molecular weight of A3962/0168861 is 513.14 g/mol.
Where can I buy A3962/0168861?
You can request a quote for A3962/0168861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168861?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.