3H-042
TL;DR: 3H-042 (CAS 338407-21-9) is a chemical compound with molecular formula C23H13Cl2F6N5O2 and molecular weight 575.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
Also Known As: 3H-042, N-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-N'-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}urea, 1-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrol-2-yl}urea, 1-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]urea
| Molecular Formula | C23H13Cl2F6N5O2 |
|---|---|
| Molecular Weight | 575.04 g/mol |
| LogP | 8.048 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 575.03503 |
| Heavy Atoms | 38 |
| Complexity | 1472.6426 |
Chemical Identifiers
| CAS Number | 338407-21-9 |
|---|---|
| SMILES | C1=CN(C(=C1)NC(=O)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
3H-042 (CAS 338407-21-9), with molecular formula C23H13Cl2F6N5O2 and molecular weight 575.04 g/mol. IUPAC: 1-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea.
Chemical Property Profile of 3H-042
Property Insights of 3H-042
The XLogP value of 8.048 indicates that 3H-042 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 3H-042. Following Lipinski's Rule of Five, 3H-042 has 2 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 3H-042?
The CAS number of 3H-042 is 338407-21-9.
What is the molecular formula of 3H-042?
The molecular formula of 3H-042 is C23H13Cl2F6N5O2.
What is the molecular weight of 3H-042?
The molecular weight of 3H-042 is 575.04 g/mol.
Where can I buy 3H-042?
You can request a quote for 3H-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-042?
Yes, KEHONG BIO provides custom synthesis services for 3H-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.