4H-012
TL;DR: 4H-012 (CAS 338420-79-4) is a chemical compound with molecular formula C20H17ClF3N5O2S and molecular weight 483.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-2-benzyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]guanidine
Also Known As: 4H-012, 1-(benzenesulfonyl)-2-benzyl-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]guanidine, N-((benzylamino){2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}methylene)benzenesulfonamide, (E)-N''-(benzenesulfonyl)-N'-benzyl-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}guanidine
| Molecular Formula | C20H17ClF3N5O2S |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 4.205 |
| Topological Polar Surface Area | 95.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.07437 |
| Heavy Atoms | 32 |
| Complexity | 1190.862 |
Chemical Identifiers
| CAS Number | 338420-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(NNC2=C(C=C(C=N2)C(F)(F)F)Cl)NS(=O)(=O)C3=CC=CC=C3 |
Product Overview
4H-012 (CAS 338420-79-4), with molecular formula C20H17ClF3N5O2S and molecular weight 483.07 g/mol. IUPAC: 1-(benzenesulfonyl)-2-benzyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]guanidine.
Chemical Property Profile of 4H-012
Property Insights of 4H-012
The XLogP value of 4.205 indicates that 4H-012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-012. Following Lipinski's Rule of Five, 4H-012 has 3 hydrogen bond donor(s) and 5 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-012?
The CAS number of 4H-012 is 338420-79-4.
What is the molecular formula of 4H-012?
The molecular formula of 4H-012 is C20H17ClF3N5O2S.
What is the molecular weight of 4H-012?
The molecular weight of 4H-012 is 483.07 g/mol.
Where can I buy 4H-012?
You can request a quote for 4H-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-012?
Yes, KEHONG BIO provides custom synthesis services for 4H-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.