1H-972
TL;DR: 1H-972 (CAS 321432-42-2) is a chemical compound with molecular formula C16H13Cl2F6N3O2S and molecular weight 495.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,1,1-trifluoromethanesulfonamide
Also Known As: 1H-972, N-(4-chlorobenzyl)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)trifluoromethanesulfonamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide, N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1,1,1-trifluoromethanesulfonamide
| Molecular Formula | C16H13Cl2F6N3O2S |
|---|---|
| Molecular Weight | 495.00 g/mol |
| LogP | 5.1709 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.00098 |
| Heavy Atoms | 30 |
| Complexity | 981.9554 |
Chemical Identifiers
| CAS Number | 321432-42-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN(CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C(F)(F)F)Cl |
Product Overview
1H-972 (CAS 321432-42-2), with molecular formula C16H13Cl2F6N3O2S and molecular weight 495.00 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,1,1-trifluoromethanesulfonamide.
Chemical Property Profile of 1H-972
Property Insights of 1H-972
The XLogP value of 5.1709 indicates that 1H-972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-972. Following Lipinski's Rule of Five, 1H-972 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-972?
The CAS number of 1H-972 is 321432-42-2.
What is the molecular formula of 1H-972?
The molecular formula of 1H-972 is C16H13Cl2F6N3O2S.
What is the molecular weight of 1H-972?
The molecular weight of 1H-972 is 495.00 g/mol.
Where can I buy 1H-972?
You can request a quote for 1H-972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-972?
Yes, KEHONG BIO provides custom synthesis services for 1H-972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.