A3964/0168944
TL;DR: A3964/0168944 (CAS 498534-75-1) is a chemical compound with molecular formula C30H26ClN3O2 and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3964/0168944, 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, 4-(4-CHLOROPHENYL)-1-(4-METHOXYPHENYL)-N~2~-PHENYL-5,6,7,8-TETRAHYDRO-2A,4A-DIAZACYCLOPENTA[CD]AZULENE-2-CARBOXAMIDE
| Molecular Formula | C30H26ClN3O2 |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 7.3254 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.17136 |
| Heavy Atoms | 36 |
| Complexity | 1548.6074 |
Chemical Identifiers
| CAS Number | 498534-75-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)Cl)C(=O)NC6=CC=CC=C6 |
Product Overview
A3964/0168944 (CAS 498534-75-1), with molecular formula C30H26ClN3O2 and molecular weight 495.17 g/mol. IUPAC: 2-(4-chlorophenyl)-6-(4-methoxyphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3964/0168944
Property Insights of A3964/0168944
The XLogP value of 7.3254 indicates that A3964/0168944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, A3964/0168944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3964/0168944 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 A3964/0168944?
The CAS number of A3964/0168944 is 498534-75-1.
What is the molecular formula of A3964/0168944?
The molecular formula of A3964/0168944 is C30H26ClN3O2.
What is the molecular weight of A3964/0168944?
The molecular weight of A3964/0168944 is 495.17 g/mol.
Where can I buy A3964/0168944?
You can request a quote for A3964/0168944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3964/0168944?
Yes, KEHONG BIO provides custom synthesis services for A3964/0168944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.