3W-0300
TL;DR: 3W-0300 (CAS 865658-45-3) is a chemical compound with molecular formula C21H19FN2O2 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-2-yl]benzoate
Also Known As: 3W-0300, methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]benzenecarboxylate, methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-2-yl]benzoate, methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-2-yl]benzoate
| Molecular Formula | C21H19FN2O2 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 4.3438 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.14307 |
| Heavy Atoms | 26 |
| Complexity | 960.64246 |
Chemical Identifiers
| CAS Number | 865658-45-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=C3CCCCC3=N2)C4=CC=CC=C4F |
Product Overview
3W-0300 (CAS 865658-45-3), with molecular formula C21H19FN2O2 and molecular weight 350.14 g/mol. IUPAC: methyl 4-[3-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-2-yl]benzoate.
Chemical Property Profile of 3W-0300
Property Insights of 3W-0300
The XLogP value of 4.3438 indicates that 3W-0300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 3W-0300 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3W-0300 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3W-0300?
The CAS number of 3W-0300 is 865658-45-3.
What is the molecular formula of 3W-0300?
The molecular formula of 3W-0300 is C21H19FN2O2.
What is the molecular weight of 3W-0300?
The molecular weight of 3W-0300 is 350.14 g/mol.
Where can I buy 3W-0300?
You can request a quote for 3W-0300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3W-0300?
Yes, KEHONG BIO provides custom synthesis services for 3W-0300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.