C30H26ClN3O
TL;DR: C30H26ClN3O (CAS 896167-22-9) 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.
6-(4-chlorophenyl)-N-(4-methylphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 1-(4-chlorophenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-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 | 1527.3369 |
Chemical Identifiers
| CAS Number | 896167-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)Cl |
Product Overview
C30H26ClN3O (CAS 896167-22-9), with molecular formula C30H26ClN3O and molecular weight 479.18 g/mol. IUPAC: 6-(4-chlorophenyl)-N-(4-methylphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of C30H26ClN3O
Property Insights of C30H26ClN3O
The XLogP value of 7.62522 indicates that C30H26ClN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, C30H26ClN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C30H26ClN3O 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 C30H26ClN3O?
The CAS number of C30H26ClN3O is 896167-22-9.
What is the molecular formula of C30H26ClN3O?
The molecular formula of C30H26ClN3O is C30H26ClN3O.
What is the molecular weight of C30H26ClN3O?
The molecular weight of C30H26ClN3O is 479.18 g/mol.
Where can I buy C30H26ClN3O?
You can request a quote for C30H26ClN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H26ClN3O?
Yes, KEHONG BIO provides custom synthesis services for C30H26ClN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.