IFLab1_004905
TL;DR: IFLab1_004905 (CAS 300812-58-2) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate
Also Known As: IFLab1_004905, IDI1_010660, BAS 03571562, BRD-A23461107-001-02-2, F1065-0562
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.38734 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 757.1846 |
Chemical Identifiers
| CAS Number | 300812-58-2 |
|---|---|
| SMILES | CC1=C(CC2C(C1)C(=O)N(C2=O)C3=C(C(=C(S3)C)C)C(=O)OC)C |
Product Overview
IFLab1_004905 (CAS 300812-58-2), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: methyl 2-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of IFLab1_004905
Property Insights of IFLab1_004905
The XLogP value of 3.38734 indicates that IFLab1_004905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004905. Following Lipinski's Rule of Five, IFLab1_004905 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_004905?
The CAS number of IFLab1_004905 is 300812-58-2.
What is the molecular formula of IFLab1_004905?
The molecular formula of IFLab1_004905 is C18H21NO4S.
What is the molecular weight of IFLab1_004905?
The molecular weight of IFLab1_004905 is 347.12 g/mol.
Where can I buy IFLab1_004905?
You can request a quote for IFLab1_004905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004905?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.