ChemDiv1_028318
TL;DR: ChemDiv1_028318 (CAS 256955-57-4) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv1_028318, MixCom6_000510, BAS 00284705, AB00075650-01, 5-benzyl-3-(4-methoxyphenyl)-2-phenylperhydropyrrolo[3,4-d]isoxazole-4,6-dione
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.7419 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1085.5244 |
Chemical Identifiers
| CAS Number | 256955-57-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5 |
Product Overview
ChemDiv1_028318 (CAS 256955-57-4), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 5-benzyl-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv1_028318
Property Insights of ChemDiv1_028318
The XLogP value of 3.7419 indicates that ChemDiv1_028318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, ChemDiv1_028318 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028318 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_028318?
The CAS number of ChemDiv1_028318 is 256955-57-4.
What is the molecular formula of ChemDiv1_028318?
The molecular formula of ChemDiv1_028318 is C25H22N2O4.
What is the molecular weight of ChemDiv1_028318?
The molecular weight of ChemDiv1_028318 is 414.16 g/mol.
Where can I buy ChemDiv1_028318?
You can request a quote for ChemDiv1_028318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028318?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.