CFTR(inh)-172
TL;DR: CFTR(inh)-172 (CAS 1073612-91-5) is a chemical compound with molecular formula C18H10F3NO3S2 and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: CFTR(inh)-172, CFTR Inhibitor-172, CFTRinh 172, CFTR Inh-172, (inh)-172
| Molecular Formula | C18H10F3NO3S2 |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.00543 |
| Heavy Atoms | 27 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 1073612-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F |
| InChIKey | JIMHYXZZCWVCMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CFTR(inh)-172 (CAS 1073612-91-5), with molecular formula C18H10F3NO3S2 and molecular weight 409.01 g/mol. IUPAC: 4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of CFTR(inh)-172
Property Insights of CFTR(inh)-172
The XLogP value of 4.9 indicates that CFTR(inh)-172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CFTR(inh)-172. Following Lipinski's Rule of Five, CFTR(inh)-172 has 1 hydrogen bond donor(s) and 8 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 CFTR(inh)-172?
The CAS number of CFTR(inh)-172 is 1073612-91-5.
What is the molecular formula of CFTR(inh)-172?
The molecular formula of CFTR(inh)-172 is C18H10F3NO3S2.
What is the molecular weight of CFTR(inh)-172?
The molecular weight of CFTR(inh)-172 is 409.01 g/mol.
Where can I buy CFTR(inh)-172?
You can request a quote for CFTR(inh)-172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CFTR(inh)-172?
Yes, KEHONG BIO provides custom synthesis services for CFTR(inh)-172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.