6E-530
TL;DR: 6E-530 (CAS 400084-80-2) is a chemical compound with molecular formula C19H15Cl2N3O3 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
Also Known As: 6E-530, 3-pyridinylmethyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate, pyridin-3-ylmethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamate, Pyridin-3-ylmethyl (1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate, (pyridin-3-yl)methyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate
| Molecular Formula | C19H15Cl2N3O3 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.3471 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.04904 |
| Heavy Atoms | 27 |
| Complexity | 986.3317 |
Chemical Identifiers
| CAS Number | 400084-80-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)OCC3=CN=CC=C3)Cl |
Product Overview
6E-530 (CAS 400084-80-2), with molecular formula C19H15Cl2N3O3 and molecular weight 403.05 g/mol. IUPAC: pyridin-3-ylmethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
Chemical Property Profile of 6E-530
Property Insights of 6E-530
The XLogP value of 4.3471 indicates that 6E-530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-530. Following Lipinski's Rule of Five, 6E-530 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6E-530?
The CAS number of 6E-530 is 400084-80-2.
What is the molecular formula of 6E-530?
The molecular formula of 6E-530 is C19H15Cl2N3O3.
What is the molecular weight of 6E-530?
The molecular weight of 6E-530 is 403.05 g/mol.
Where can I buy 6E-530?
You can request a quote for 6E-530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-530?
Yes, KEHONG BIO provides custom synthesis services for 6E-530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.