ChemDiv2_004164
TL;DR: ChemDiv2_004164 (CAS 473707-83-4) is a chemical compound with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(3-hydroxy-4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv2_004164, BAS 02947144, IDI1_002879, 5-benzyl-3-(3-hydroxy-4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1065-0669
| Molecular Formula | C25H22N2O5 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 3.4475 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.15286 |
| Heavy Atoms | 32 |
| Complexity | 1151.5085 |
Chemical Identifiers
| CAS Number | 473707-83-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)O |
Product Overview
ChemDiv2_004164 (CAS 473707-83-4), with molecular formula C25H22N2O5 and molecular weight 430.15 g/mol. IUPAC: 5-benzyl-3-(3-hydroxy-4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv2_004164
Property Insights of ChemDiv2_004164
The XLogP value of 3.4475 indicates that ChemDiv2_004164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004164. Following Lipinski's Rule of Five, ChemDiv2_004164 has 1 hydrogen bond donor(s) and 6 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 ChemDiv2_004164?
The CAS number of ChemDiv2_004164 is 473707-83-4.
What is the molecular formula of ChemDiv2_004164?
The molecular formula of ChemDiv2_004164 is C25H22N2O5.
What is the molecular weight of ChemDiv2_004164?
The molecular weight of ChemDiv2_004164 is 430.15 g/mol.
Where can I buy ChemDiv2_004164?
You can request a quote for ChemDiv2_004164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004164?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.