3H-043
TL;DR: 3H-043 (CAS 338407-23-1) is a chemical compound with molecular formula C17H10Cl2F6N6O and molecular weight 498.02 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]amino]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
Also Known As: 3H-043, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}-1-hydrazinecarboxamide, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]urea, 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrol-2-yl}-1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}urea, 2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRROL-2-YL)-1-HYDRAZINECARBOXAMIDE
| Molecular Formula | C17H10Cl2F6N6O |
|---|---|
| Molecular Weight | 498.02 g/mol |
| LogP | 5.7603 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.01974 |
| Heavy Atoms | 32 |
| Complexity | 1147.291 |
Chemical Identifiers
| CAS Number | 338407-23-1 |
|---|---|
| SMILES | C1=CN(C(=C1)NC(=O)NNC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-043 (CAS 338407-23-1), with molecular formula C17H10Cl2F6N6O and molecular weight 498.02 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea.
Chemical Property Profile of 3H-043
Property Insights of 3H-043
The XLogP value of 5.7603 indicates that 3H-043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-043. Following Lipinski's Rule of Five, 3H-043 has 3 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-043?
The CAS number of 3H-043 is 338407-23-1.
What is the molecular formula of 3H-043?
The molecular formula of 3H-043 is C17H10Cl2F6N6O.
What is the molecular weight of 3H-043?
The molecular weight of 3H-043 is 498.02 g/mol.
Where can I buy 3H-043?
You can request a quote for 3H-043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-043?
Yes, KEHONG BIO provides custom synthesis services for 3H-043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.