IFLab1_001860
TL;DR: IFLab1_001860 (CAS 391874-93-4) is a chemical compound with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(naphthalene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
Also Known As: IFLab1_001860, ethyl 2-{[5-(naphthalene-2-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}propanoate, F0470-0343, ethyl 2-((5-(2-naphthamido)-1,3,4-thiadiazol-2-yl)thio)propanoate, ethyl 2-[[5-(naphthalene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
| Molecular Formula | C18H17N3O3S2 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 3.9873 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.07114 |
| Heavy Atoms | 26 |
| Complexity | 942.0858 |
Chemical Identifiers
| CAS Number | 391874-93-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C=C2 |
Product Overview
IFLab1_001860 (CAS 391874-93-4), with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol. IUPAC: ethyl 2-[[5-(naphthalene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate.
Chemical Property Profile of IFLab1_001860
Property Insights of IFLab1_001860
The XLogP value of 3.9873 indicates that IFLab1_001860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001860. Following Lipinski's Rule of Five, IFLab1_001860 has 1 hydrogen bond donor(s) and 7 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_001860?
The CAS number of IFLab1_001860 is 391874-93-4.
What is the molecular formula of IFLab1_001860?
The molecular formula of IFLab1_001860 is C18H17N3O3S2.
What is the molecular weight of IFLab1_001860?
The molecular weight of IFLab1_001860 is 387.07 g/mol.
Where can I buy IFLab1_001860?
You can request a quote for IFLab1_001860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001860?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.