4H-011
TL;DR: 4H-011 (CAS 338420-78-3) is a chemical compound with molecular formula C24H13Cl2F6N5O2S and molecular weight 619.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamothioyl]pyrrole-2-carboxamide
Also Known As: 4H-011, N-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-N'-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}carbonyl)thiourea, 1-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}thiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamothioyl]pyrrole-2-carboxamide
| Molecular Formula | C24H13Cl2F6N5O2S |
|---|---|
| Molecular Weight | 619.01 g/mol |
| LogP | 7.5308 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 619.00714 |
| Heavy Atoms | 40 |
| Complexity | 1575.4631 |
Chemical Identifiers
| CAS Number | 338420-78-3 |
|---|---|
| SMILES | C1=CN(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)Cl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
4H-011 (CAS 338420-78-3), with molecular formula C24H13Cl2F6N5O2S and molecular weight 619.01 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamothioyl]pyrrole-2-carboxamide.
Chemical Property Profile of 4H-011
Property Insights of 4H-011
The XLogP value of 7.5308 indicates that 4H-011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-011. Following Lipinski's Rule of Five, 4H-011 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-011?
The CAS number of 4H-011 is 338420-78-3.
What is the molecular formula of 4H-011?
The molecular formula of 4H-011 is C24H13Cl2F6N5O2S.
What is the molecular weight of 4H-011?
The molecular weight of 4H-011 is 619.01 g/mol.
Where can I buy 4H-011?
You can request a quote for 4H-011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-011?
Yes, KEHONG BIO provides custom synthesis services for 4H-011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.