4H-013
TL;DR: 4H-013 (CAS 338420-80-7) is a chemical compound with molecular formula C19H19ClF3N3O3S and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)butanamide
Also Known As: 4H-013, 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(dimethylaminomethylidene)butanamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(dimethylamino)methylene]-4-(phenylsulfonyl)butanamide, 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(dimethylamino)methylidene]butanamide
| Molecular Formula | C19H19ClF3N3O3S |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 4.1655 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.07877 |
| Heavy Atoms | 30 |
| Complexity | 1026.3104 |
Chemical Identifiers
| CAS Number | 338420-80-7 |
|---|---|
| SMILES | CN(C)C=NC(=O)CCC(C1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
4H-013 (CAS 338420-80-7), with molecular formula C19H19ClF3N3O3S and molecular weight 461.08 g/mol. IUPAC: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(dimethylaminomethylidene)butanamide.
Chemical Property Profile of 4H-013
Property Insights of 4H-013
The XLogP value of 4.1655 indicates that 4H-013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-013. Following Lipinski's Rule of Five, 4H-013 has 0 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 4H-013?
The CAS number of 4H-013 is 338420-80-7.
What is the molecular formula of 4H-013?
The molecular formula of 4H-013 is C19H19ClF3N3O3S.
What is the molecular weight of 4H-013?
The molecular weight of 4H-013 is 461.08 g/mol.
Where can I buy 4H-013?
You can request a quote for 4H-013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-013?
Yes, KEHONG BIO provides custom synthesis services for 4H-013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.