![5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/1005/1005094-16-5.webp)
5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005094-16-5) is a chemical compound with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-(2-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(3-chlorophenyl)-3-(thiophen-2-yl)-2-(o-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1248-0029, 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(3-chlorophenyl)-5-(2-methylphenyl)-6-(2-thienyl)-2,4,5,6,3a,6a-hexahydro-4- oxa-2,5-diazapentalene-1,3-dione
| Molecular Formula | C22H17ClN2O3S |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 4.76102 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.06485 |
| Heavy Atoms | 29 |
| Complexity | 1100.9515 |
Chemical Identifiers
| CAS Number | 1005094-16-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=CS5 |
Product Overview
5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005094-16-5), with molecular formula C22H17ClN2O3S and molecular weight 424.06 g/mol. IUPAC: 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 4.76102 indicates that 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione 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 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005094-16-5.
What is the molecular formula of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C22H17ClN2O3S.
What is the molecular weight of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 424.06 g/mol.
Where can I buy 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chlorophenyl)-2-(2-methylphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.