F3019-0001
TL;DR: F3019-0001 (CAS 1005056-46-1) is a chemical compound with molecular formula C26H18ClF3N2O5 and molecular weight 530.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Also Known As: F3019-0001, methyl 4-(2-(4-chlorophenyl)-4,6-dioxo-5-(3-(trifluoromethyl)phenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate, methyl 4-[2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-[2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-{2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,2,3,5,3 a,6a-hexahydro-3-oxa-2,5-diazapentalenyl}benzoate
| Molecular Formula | C26H18ClF3N2O5 |
|---|---|
| Molecular Weight | 530.09 g/mol |
| LogP | 5.1965 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 530.08563 |
| Heavy Atoms | 37 |
| Complexity | 1378.2096 |
Chemical Identifiers
| CAS Number | 1005056-46-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)ON2C5=CC=C(C=C5)Cl |
Product Overview
F3019-0001 (CAS 1005056-46-1), with molecular formula C26H18ClF3N2O5 and molecular weight 530.09 g/mol. IUPAC: methyl 4-[2-(4-chlorophenyl)-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate.
Chemical Property Profile of F3019-0001
Property Insights of F3019-0001
The XLogP value of 5.1965 indicates that F3019-0001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F3019-0001. Following Lipinski's Rule of Five, F3019-0001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3019-0001?
The CAS number of F3019-0001 is 1005056-46-1.
What is the molecular formula of F3019-0001?
The molecular formula of F3019-0001 is C26H18ClF3N2O5.
What is the molecular weight of F3019-0001?
The molecular weight of F3019-0001 is 530.09 g/mol.
Where can I buy F3019-0001?
You can request a quote for F3019-0001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3019-0001?
Yes, KEHONG BIO provides custom synthesis services for F3019-0001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.