L-161,982
TL;DR: L-161,982 (CAS 147776-06-5) is a chemical compound with molecular formula C32H29F3N4O4S2 and molecular weight 654.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3-methylthiophene-2-carboxamide
Also Known As: SID:134223014, 2-Thiophenecarboxamide, N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]-3-methyl-, N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3-methylthiophene-2-carboxamide, BRD-K39733634-001-01-8, BRD-K39733634-001-02-6
| Molecular Formula | C32H29F3N4O4S2 |
|---|---|
| Molecular Weight | 654.16 g/mol |
| LogP | 6.59932 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 654.1582 |
| Heavy Atoms | 45 |
| Complexity | 2010.7566 |
Chemical Identifiers
| CAS Number | 147776-06-5 |
|---|---|
| SMILES | CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CS4)C)C5=CC=CC=C5C(F)(F)F |
Product Overview
L-161,982 (CAS 147776-06-5), with molecular formula C32H29F3N4O4S2 and molecular weight 654.16 g/mol. IUPAC: N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3-methylthiophene-2-carboxamide.
Chemical Property Profile of L-161,982
Property Insights of L-161,982
The XLogP value of 6.59932 indicates that L-161,982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for L-161,982. Following Lipinski's Rule of Five, L-161,982 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-161,982?
The CAS number of L-161,982 is 147776-06-5.
What is the molecular formula of L-161,982?
The molecular formula of L-161,982 is C32H29F3N4O4S2.
What is the molecular weight of L-161,982?
The molecular weight of L-161,982 is 654.16 g/mol.
Where can I buy L-161,982?
You can request a quote for L-161,982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-161,982?
Yes, KEHONG BIO provides custom synthesis services for L-161,982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.