C30H25ClFN3O2
TL;DR: C30H25ClFN3O2 (CAS 896166-87-3) is a chemical compound with molecular formula C30H25ClFN3O2 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-(4-fluorophenyl)-N-(2-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 4-(4-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C30H25ClFN3O2 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 7.4645 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.1619 |
| Heavy Atoms | 37 |
| Complexity | 1617.9131 |
Chemical Identifiers
| CAS Number | 896166-87-3 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)F |
Product Overview
C30H25ClFN3O2 (CAS 896166-87-3), with molecular formula C30H25ClFN3O2 and molecular weight 513.16 g/mol. IUPAC: 2-(4-chlorophenyl)-6-(4-fluorophenyl)-N-(2-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of C30H25ClFN3O2
Property Insights of C30H25ClFN3O2
The XLogP value of 7.4645 indicates that C30H25ClFN3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.67 Ų, C30H25ClFN3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C30H25ClFN3O2 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 C30H25ClFN3O2?
The CAS number of C30H25ClFN3O2 is 896166-87-3.
What is the molecular formula of C30H25ClFN3O2?
The molecular formula of C30H25ClFN3O2 is C30H25ClFN3O2.
What is the molecular weight of C30H25ClFN3O2?
The molecular weight of C30H25ClFN3O2 is 513.16 g/mol.
Where can I buy C30H25ClFN3O2?
You can request a quote for C30H25ClFN3O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H25ClFN3O2?
Yes, KEHONG BIO provides custom synthesis services for C30H25ClFN3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.