![4-[3-Chloro-4-methylbenzoyl]pyridine structure](/static/products/868/868390-63-0.png)
4-[3-Chloro-4-methylbenzoyl]pyridine
TL;DR: 4-[3-Chloro-4-methylbenzoyl]pyridine (CAS 868390-63-0) is a chemical compound with molecular formula C13H10ClNO and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methylphenyl)-pyridin-4-ylmethanone
Also Known As: 4-[3-Chloro-4-methylbenzoyl]pyridine, (3-Chloro-4-methylphenyl)-4-pyridinylmethanone, 4-(3-Chloro-4-methylbenzoyl)pyridine, (3-chloro-4-methylphenyl)-pyridin-4-ylmethanone, (3-Chloro-4-methylphenyl)(4-pyridinyl)methanone #
| Molecular Formula | C13H10ClNO |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04509 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 868390-63-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C2=CC=NC=C2)Cl |
| InChIKey | KTRNIKMRVLRORI-UHFFFAOYSA-N |
Product Overview
4-[3-Chloro-4-methylbenzoyl]pyridine (CAS 868390-63-0), with molecular formula C13H10ClNO and molecular weight 231.05 g/mol. IUPAC: (3-chloro-4-methylphenyl)-pyridin-4-ylmethanone.
Chemical Property Profile of 4-[3-Chloro-4-methylbenzoyl]pyridine
Property Insights of 4-[3-Chloro-4-methylbenzoyl]pyridine
The XLogP value of 3.9 indicates that 4-[3-Chloro-4-methylbenzoyl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 4-[3-Chloro-4-methylbenzoyl]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-Chloro-4-methylbenzoyl]pyridine has 0 hydrogen bond donor(s) and 2 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 4-[3-Chloro-4-methylbenzoyl]pyridine?
The CAS number of 4-[3-Chloro-4-methylbenzoyl]pyridine is 868390-63-0.
What is the molecular formula of 4-[3-Chloro-4-methylbenzoyl]pyridine?
The molecular formula of 4-[3-Chloro-4-methylbenzoyl]pyridine is C13H10ClNO.
What is the molecular weight of 4-[3-Chloro-4-methylbenzoyl]pyridine?
The molecular weight of 4-[3-Chloro-4-methylbenzoyl]pyridine is 231.05 g/mol.
Where can I buy 4-[3-Chloro-4-methylbenzoyl]pyridine?
You can request a quote for 4-[3-Chloro-4-methylbenzoyl]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-Chloro-4-methylbenzoyl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-Chloro-4-methylbenzoyl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.