IFLab1_003888
TL;DR: IFLab1_003888 (CAS 386702-13-2) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4,5-dimethylthiophene-3-carbonitrile
Also Known As: IFLab1_003888, VU0094642-4, F0857-0011, AF-399/15335568, 2-{3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl}-4,5-dimethylthiophene-3-carbonitrile
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.54812 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 725.0619 |
Chemical Identifiers
| CAS Number | 386702-13-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N2C(=O)C3C4CC(C3C2=O)C=C4)C |
Product Overview
IFLab1_003888 (CAS 386702-13-2), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of IFLab1_003888
Property Insights of IFLab1_003888
The XLogP value of 2.54812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003888. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003888. Following Lipinski's Rule of Five, IFLab1_003888 has 0 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_003888?
The CAS number of IFLab1_003888 is 386702-13-2.
What is the molecular formula of IFLab1_003888?
The molecular formula of IFLab1_003888 is C16H14N2O2S.
What is the molecular weight of IFLab1_003888?
The molecular weight of IFLab1_003888 is 298.08 g/mol.
Where can I buy IFLab1_003888?
You can request a quote for IFLab1_003888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003888?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.