A3962/0168847
TL;DR: A3962/0168847 (CAS 487026-72-2) is a chemical compound with molecular formula C31H28ClN3O2 and molecular weight 509.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3962/0168847, N-(3-chlorophenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3-chlorophenyl)-4-(4-methoxyphenyl)-1-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N~2~-(3-CHLOROPHENYL)-4-(4-METHOXYPHENYL)-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C31H28ClN3O2 |
|---|---|
| Molecular Weight | 509.19 g/mol |
| LogP | 7.63382 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.187 |
| Heavy Atoms | 37 |
| Complexity | 1611.5397 |
Chemical Identifiers
| CAS Number | 487026-72-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC(=CC=C6)Cl |
Product Overview
A3962/0168847 (CAS 487026-72-2), with molecular formula C31H28ClN3O2 and molecular weight 509.19 g/mol. IUPAC: N-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3962/0168847
Property Insights of A3962/0168847
The XLogP value of 7.63382 indicates that A3962/0168847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, A3962/0168847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3962/0168847 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 A3962/0168847?
The CAS number of A3962/0168847 is 487026-72-2.
What is the molecular formula of A3962/0168847?
The molecular formula of A3962/0168847 is C31H28ClN3O2.
What is the molecular weight of A3962/0168847?
The molecular weight of A3962/0168847 is 509.19 g/mol.
Where can I buy A3962/0168847?
You can request a quote for A3962/0168847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3962/0168847?
Yes, KEHONG BIO provides custom synthesis services for A3962/0168847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.