10H-498S
TL;DR: 10H-498S (CAS 252059-23-7) is a chemical compound with molecular formula C19H10Cl3FN2O and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dichlorophenyl)-2-oxopyridine-3-carbonitrile
Also Known As: 10H-498S, 1-(2-chloro-6-fluorobenzyl)-6-(3,4-dichlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dichlorophenyl)-2-oxopyridine-3-carbonitrile, 1-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C19H10Cl3FN2O |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 5.53458 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.98428 |
| Heavy Atoms | 26 |
| Complexity | 1082.664 |
Chemical Identifiers
| CAS Number | 252059-23-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C(=CC=C(C2=O)C#N)C3=CC(=C(C=C3)Cl)Cl)F |
Product Overview
10H-498S (CAS 252059-23-7), with molecular formula C19H10Cl3FN2O and molecular weight 405.98 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dichlorophenyl)-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 10H-498S
Property Insights of 10H-498S
The XLogP value of 5.53458 indicates that 10H-498S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 10H-498S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10H-498S has 0 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 10H-498S?
The CAS number of 10H-498S is 252059-23-7.
What is the molecular formula of 10H-498S?
The molecular formula of 10H-498S is C19H10Cl3FN2O.
What is the molecular weight of 10H-498S?
The molecular weight of 10H-498S is 405.98 g/mol.
Where can I buy 10H-498S?
You can request a quote for 10H-498S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-498S?
Yes, KEHONG BIO provides custom synthesis services for 10H-498S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.