6E-517
TL;DR: 6E-517 (CAS 400084-69-7) is a chemical compound with molecular formula C24H22ClF2N3O4 and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinyl]-1-propan-2-ylurea
Also Known As: 6E-517, N-(2-chlorobenzyl)-N'-{1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinyl}-N-isopropylurea, 1-[(2-chlorophenyl)methyl]-3-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridin-3-yl]-1-propan-2-ylurea, 1-[(2-chlorophenyl)methyl]-3-{1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-(propan-2-yl)urea
| Molecular Formula | C24H22ClF2N3O4 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 5.314 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.12668 |
| Heavy Atoms | 34 |
| Complexity | 1279.068 |
Chemical Identifiers
| CAS Number | 400084-69-7 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1Cl)C(=O)NC2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F |
Product Overview
6E-517 (CAS 400084-69-7), with molecular formula C24H22ClF2N3O4 and molecular weight 489.13 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinyl]-1-propan-2-ylurea.
Chemical Property Profile of 6E-517
Property Insights of 6E-517
The XLogP value of 5.314 indicates that 6E-517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-517. Following Lipinski's Rule of Five, 6E-517 has 1 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 6E-517?
The CAS number of 6E-517 is 400084-69-7.
What is the molecular formula of 6E-517?
The molecular formula of 6E-517 is C24H22ClF2N3O4.
What is the molecular weight of 6E-517?
The molecular weight of 6E-517 is 489.13 g/mol.
Where can I buy 6E-517?
You can request a quote for 6E-517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-517?
Yes, KEHONG BIO provides custom synthesis services for 6E-517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.