IFLab1_005036
TL;DR: IFLab1_005036 (CAS 1005262-32-7) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5-propan-2-yl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: IFLab1_005036, BAS 04881469, 5-Isopropyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione, 2-phenyl-5-(propan-2-yl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-phenyl-5-propan-2-yl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 1005262-32-7 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC=CS4 |
| InChIKey | MMLCMSFBBUAHTF-UHFFFAOYSA-N |
Product Overview
IFLab1_005036 (CAS 1005262-32-7), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 2-phenyl-5-propan-2-yl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of IFLab1_005036
Property Insights of IFLab1_005036
The XLogP value of 3.0 indicates that IFLab1_005036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005036. Following Lipinski's Rule of Five, IFLab1_005036 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 IFLab1_005036?
The CAS number of IFLab1_005036 is 1005262-32-7.
What is the molecular formula of IFLab1_005036?
The molecular formula of IFLab1_005036 is C18H18N2O3S.
What is the molecular weight of IFLab1_005036?
The molecular weight of IFLab1_005036 is 342.10 g/mol.
Where can I buy IFLab1_005036?
You can request a quote for IFLab1_005036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005036?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.