11H-004
TL;DR: 11H-004 (CAS 303151-79-3) is a chemical compound with molecular formula C21H11Cl3F6N2O2 and molecular weight 541.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methyl] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 11H-004, [[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methyl] N-[3-(trifluoromethyl)phenyl]carbamate, [3-chloro-5-(trifluoromethyl)-2-pyridinyl](2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate, [3-chloro-5-(trifluoromethyl)pyridin-2-yl](2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate, Carbamic acid, [3-(trifluoromethyl)phenyl]-, [3-chloro-5-(trifluoromethyl)-2-pyridinyl](2,4-dichlorophenyl)methyl ester
| Molecular Formula | C21H11Cl3F6N2O2 |
|---|---|
| Molecular Weight | 541.98 g/mol |
| LogP | 8.4175 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.979 |
| Heavy Atoms | 34 |
| Complexity | 1217.8436 |
Chemical Identifiers
| CAS Number | 303151-79-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OC(C2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
11H-004 (CAS 303151-79-3), with molecular formula C21H11Cl3F6N2O2 and molecular weight 541.98 g/mol. IUPAC: [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methyl] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 11H-004
Property Insights of 11H-004
The XLogP value of 8.4175 indicates that 11H-004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 11H-004 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-004 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11H-004?
The CAS number of 11H-004 is 303151-79-3.
What is the molecular formula of 11H-004?
The molecular formula of 11H-004 is C21H11Cl3F6N2O2.
What is the molecular weight of 11H-004?
The molecular weight of 11H-004 is 541.98 g/mol.
Where can I buy 11H-004?
You can request a quote for 11H-004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-004?
Yes, KEHONG BIO provides custom synthesis services for 11H-004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.