IFLab1_003789
TL;DR: IFLab1_003789 (CAS 396724-69-9) is a chemical compound with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
Also Known As: IFLab1_003789, IDI1_009896, F0778-0449, N-(2-(3,5-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide, N-[2-(3,5-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
| Molecular Formula | C18H17N3OS2 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 4.54974 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0813 |
| Heavy Atoms | 24 |
| Complexity | 892.4944 |
Chemical Identifiers
| CAS Number | 396724-69-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CS4)C |
Product Overview
IFLab1_003789 (CAS 396724-69-9), with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol. IUPAC: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.
Chemical Property Profile of IFLab1_003789
Property Insights of IFLab1_003789
The XLogP value of 4.54974 indicates that IFLab1_003789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, IFLab1_003789 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003789 has 1 hydrogen bond donor(s) and 4 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_003789?
The CAS number of IFLab1_003789 is 396724-69-9.
What is the molecular formula of IFLab1_003789?
The molecular formula of IFLab1_003789 is C18H17N3OS2.
What is the molecular weight of IFLab1_003789?
The molecular weight of IFLab1_003789 is 355.08 g/mol.
Where can I buy IFLab1_003789?
You can request a quote for IFLab1_003789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003789?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.