ChemDiv3_004574
TL;DR: ChemDiv3_004574 (CAS 1005116-95-9) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv3_004574, IDI1_022484, 5-methyl-2-phenyl-3-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1248-0034, 5-methyl-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.47132 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 788.01904 |
Chemical Identifiers
| CAS Number | 1005116-95-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C)ON2C4=CC=CC=C4 |
Product Overview
ChemDiv3_004574 (CAS 1005116-95-9), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 5-methyl-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv3_004574
Property Insights of ChemDiv3_004574
The XLogP value of 2.47132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004574. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv3_004574 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004574 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_004574?
The CAS number of ChemDiv3_004574 is 1005116-95-9.
What is the molecular formula of ChemDiv3_004574?
The molecular formula of ChemDiv3_004574 is C19H18N2O3.
What is the molecular weight of ChemDiv3_004574?
The molecular weight of ChemDiv3_004574 is 322.13 g/mol.
Where can I buy ChemDiv3_004574?
You can request a quote for ChemDiv3_004574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004574?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.