1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone
TL;DR: 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone (CAS 866136-06-3) is a chemical compound with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-chloro-5-(trimethoxymethyl)pyridin-2-one
Also Known As: 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone, 1-benzyl-3-chloro-5-(trimethoxymethyl)pyridin-2-one, 8E-505, 1-benzyl-3-chloro-5-(trimethoxymethyl)-1,2-dihydropyridin-2-one
| Molecular Formula | C16H18ClNO4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 2.5995 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.09244 |
| Heavy Atoms | 22 |
| Complexity | 672.02563 |
Chemical Identifiers
| CAS Number | 866136-06-3 |
|---|---|
| SMILES | COC(C1=CN(C(=O)C(=C1)Cl)CC2=CC=CC=C2)(OC)OC |
Product Overview
1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone (CAS 866136-06-3), with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol. IUPAC: 1-benzyl-3-chloro-5-(trimethoxymethyl)pyridin-2-one.
Chemical Property Profile of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone
Property Insights of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone
The XLogP value of 2.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone. With a topological polar surface area (TPSA) of 49.69 Ų, 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone has 0 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 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone?
The CAS number of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone is 866136-06-3.
What is the molecular formula of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone?
The molecular formula of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone is C16H18ClNO4.
What is the molecular weight of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone?
The molecular weight of 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone is 323.09 g/mol.
Where can I buy 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone?
You can request a quote for 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-chloro-5-(trimethoxymethyl)-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.