A3962/0168868
TL;DR: A3962/0168868 (CAS 500147-39-7) is a chemical compound with molecular formula C30H26ClN3O and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3962/0168868, N-(3-chlorophenyl)-1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N~2~-(3-CHLOROPHENYL)-4-(4-METHYLPHENYL)-1-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C30H26ClN3O |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 7.62522 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.17645 |
| Heavy Atoms | 35 |
| Complexity | 1544.5869 |
Chemical Identifiers
| CAS Number | 500147-39-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC(=CC=C6)Cl |
Product Overview
A3962/0168868 (CAS 500147-39-7), with molecular formula C30H26ClN3O and molecular weight 479.18 g/mol. IUPAC: N-(3-chlorophenyl)-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 A3962/0168868
Property Insights of A3962/0168868
The XLogP value of 7.62522 indicates that A3962/0168868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, A3962/0168868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168868 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 A3962/0168868?
The CAS number of A3962/0168868 is 500147-39-7.
What is the molecular formula of A3962/0168868?
The molecular formula of A3962/0168868 is C30H26ClN3O.
What is the molecular weight of A3962/0168868?
The molecular weight of A3962/0168868 is 479.18 g/mol.
Where can I buy A3962/0168868?
You can request a quote for A3962/0168868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168868?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.