6E-507
TL;DR: 6E-507 (CAS 400084-66-4) is a chemical compound with molecular formula C20H13F2NO4S and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carbothioate
Also Known As: 6E-507, S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarbothioate, S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carbothioate, 1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-3-[(phenylsulfanyl)carbonyl]-1,2-dihydropyridin-2-one, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-[(phenylsulfanyl)carbonyl]pyridin-2-one
| Molecular Formula | C20H13F2NO4S |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 4.1506 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05334 |
| Heavy Atoms | 28 |
| Complexity | 1098.8599 |
Chemical Identifiers
| CAS Number | 400084-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F |
Product Overview
6E-507 (CAS 400084-66-4), with molecular formula C20H13F2NO4S and molecular weight 401.05 g/mol. IUPAC: S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carbothioate.
Chemical Property Profile of 6E-507
Property Insights of 6E-507
The XLogP value of 4.1506 indicates that 6E-507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 6E-507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6E-507 has 0 hydrogen bond donor(s) and 5 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-507?
The CAS number of 6E-507 is 400084-66-4.
What is the molecular formula of 6E-507?
The molecular formula of 6E-507 is C20H13F2NO4S.
What is the molecular weight of 6E-507?
The molecular weight of 6E-507 is 401.05 g/mol.
Where can I buy 6E-507?
You can request a quote for 6E-507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-507?
Yes, KEHONG BIO provides custom synthesis services for 6E-507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.