ML176 cpd
TL;DR: ML176 cpd (CAS 293753-05-6) is a chemical compound with molecular formula C13H9F6NO3S2 and molecular weight 404.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
Also Known As: ML176 cpd, s2969, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide, SID:504065063, 2-Thiophenesulfonamide, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-
| Molecular Formula | C13H9F6NO3S2 |
|---|---|
| Molecular Weight | 404.99 g/mol |
| LogP | 3.8611 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.9928 |
| Heavy Atoms | 25 |
| Complexity | 812.1396 |
Chemical Identifiers
| CAS Number | 293753-05-6 |
|---|---|
| SMILES | C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
ML176 cpd (CAS 293753-05-6), with molecular formula C13H9F6NO3S2 and molecular weight 404.99 g/mol. IUPAC: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide.
Chemical Property Profile of ML176 cpd
Property Insights of ML176 cpd
The XLogP value of 3.8611 indicates that ML176 cpd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ML176 cpd. Following Lipinski's Rule of Five, ML176 cpd has 2 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 ML176 cpd?
The CAS number of ML176 cpd is 293753-05-6.
What is the molecular formula of ML176 cpd?
The molecular formula of ML176 cpd is C13H9F6NO3S2.
What is the molecular weight of ML176 cpd?
The molecular weight of ML176 cpd is 404.99 g/mol.
Where can I buy ML176 cpd?
You can request a quote for ML176 cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML176 cpd?
Yes, KEHONG BIO provides custom synthesis services for ML176 cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.