VU0509413-1
TL;DR: VU0509413-1 (CAS 1005240-77-6) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-hydroxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: VU0509413-1, VU0509413-2, F3115-0028, methyl 4-[3-(4-hydroxyphenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, methyl 4-[3-(4-hydroxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.2299 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1209.9093 |
Chemical Identifiers
| CAS Number | 1005240-77-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O |
Product Overview
VU0509413-1 (CAS 1005240-77-6), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: methyl 4-[3-(4-hydroxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of VU0509413-1
Property Insights of VU0509413-1
The XLogP value of 3.2299 indicates that VU0509413-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509413-1. Following Lipinski's Rule of Five, VU0509413-1 has 1 hydrogen bond donor(s) and 7 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 VU0509413-1?
The CAS number of VU0509413-1 is 1005240-77-6.
What is the molecular formula of VU0509413-1?
The molecular formula of VU0509413-1 is C25H20N2O6.
What is the molecular weight of VU0509413-1?
The molecular weight of VU0509413-1 is 444.13 g/mol.
Where can I buy VU0509413-1?
You can request a quote for VU0509413-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509413-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509413-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.