C29H22Cl2FN3O
TL;DR: C29H22Cl2FN3O (CAS 896169-41-8) is a chemical compound with molecular formula C29H22Cl2FN3O and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: N-(2-chlorophenyl)-1-(4-chlorophenyl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C29H22Cl2FN3O |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 8.1093 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.11237 |
| Heavy Atoms | 36 |
| Complexity | 1600.8561 |
Chemical Identifiers
| CAS Number | 896169-41-8 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=O)NC4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)F |
Product Overview
C29H22Cl2FN3O (CAS 896169-41-8), with molecular formula C29H22Cl2FN3O and molecular weight 517.11 g/mol. IUPAC: N-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(4-fluorophenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of C29H22Cl2FN3O
Property Insights of C29H22Cl2FN3O
The XLogP value of 8.1093 indicates that C29H22Cl2FN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, C29H22Cl2FN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H22Cl2FN3O 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 C29H22Cl2FN3O?
The CAS number of C29H22Cl2FN3O is 896169-41-8.
What is the molecular formula of C29H22Cl2FN3O?
The molecular formula of C29H22Cl2FN3O is C29H22Cl2FN3O.
What is the molecular weight of C29H22Cl2FN3O?
The molecular weight of C29H22Cl2FN3O is 517.11 g/mol.
Where can I buy C29H22Cl2FN3O?
You can request a quote for C29H22Cl2FN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H22Cl2FN3O?
Yes, KEHONG BIO provides custom synthesis services for C29H22Cl2FN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.