6E-561
TL;DR: 6E-561 (CAS 338784-71-7) is a chemical compound with molecular formula C19H13Cl2F2N3O2 and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3,4-difluorophenyl)urea
Also Known As: 6E-561, N-[1-(2,6-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]-N'-(3,4-difluorophenyl)urea, 1-[1-[(2,6-dichlorophenyl)methyl]-6-oxopyridin-3-yl]-3-(3,4-difluorophenyl)urea, 3-{1-[(2,6-dichlorophenyl)methyl]-6-oxo-1,6-dihydropyridin-3-yl}-1-(3,4-difluorophenyl)urea, 1-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-pyridin-3-yl]-3-(3,4-difluorophenyl)urea
| Molecular Formula | C19H13Cl2F2N3O2 |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 5.1256 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.03528 |
| Heavy Atoms | 28 |
| Complexity | 1082.5271 |
Chemical Identifiers
| CAS Number | 338784-71-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=C(C=CC2=O)NC(=O)NC3=CC(=C(C=C3)F)F)Cl |
Product Overview
6E-561 (CAS 338784-71-7), with molecular formula C19H13Cl2F2N3O2 and molecular weight 423.04 g/mol. IUPAC: 1-[1-[(2,6-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3,4-difluorophenyl)urea.
Chemical Property Profile of 6E-561
Property Insights of 6E-561
The XLogP value of 5.1256 indicates that 6E-561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-561. Following Lipinski's Rule of Five, 6E-561 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6E-561?
The CAS number of 6E-561 is 338784-71-7.
What is the molecular formula of 6E-561?
The molecular formula of 6E-561 is C19H13Cl2F2N3O2.
What is the molecular weight of 6E-561?
The molecular weight of 6E-561 is 423.04 g/mol.
Where can I buy 6E-561?
You can request a quote for 6E-561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-561?
Yes, KEHONG BIO provides custom synthesis services for 6E-561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.