ChemDiv1_022297
TL;DR: ChemDiv1_022297 (CAS 398997-47-2) is a chemical compound with molecular formula C27H30FN3O2 and molecular weight 447.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: ChemDiv1_022297, F0832-0312, 1-(2-fluoro-4-methoxyphenyl)-4-((2-isopropyl-5-methylphenoxy)methyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene, 6-(2-fluoro-4-methoxyphenyl)-2-[(2-isopropyl-5-methylphenoxy)methyl]-1,3,4-triazatricyclo[5.4.1.0,(1)(2)]dodeca-2,5,7(12)-triene
| Molecular Formula | C27H30FN3O2 |
|---|---|
| Molecular Weight | 447.23 g/mol |
| LogP | 6.29762 |
| Topological Polar Surface Area | 40.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.2322 |
| Heavy Atoms | 33 |
| Complexity | 1318.893 |
Chemical Identifiers
| CAS Number | 398997-47-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NN3C=C(C4=C3N2CCCC4)C5=C(C=C(C=C5)OC)F |
Product Overview
ChemDiv1_022297 (CAS 398997-47-2), with molecular formula C27H30FN3O2 and molecular weight 447.23 g/mol. IUPAC: 6-(2-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of ChemDiv1_022297
Property Insights of ChemDiv1_022297
The XLogP value of 6.29762 indicates that ChemDiv1_022297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.69 Ų, ChemDiv1_022297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022297 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022297?
The CAS number of ChemDiv1_022297 is 398997-47-2.
What is the molecular formula of ChemDiv1_022297?
The molecular formula of ChemDiv1_022297 is C27H30FN3O2.
What is the molecular weight of ChemDiv1_022297?
The molecular weight of ChemDiv1_022297 is 447.23 g/mol.
Where can I buy ChemDiv1_022297?
You can request a quote for ChemDiv1_022297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022297?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.