RefChem:327740
TL;DR: RefChem:327740 (CAS 30914-43-3) is a chemical compound with molecular formula C18H24ClNO2 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[2-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethyl]benzoic acid
Also Known As: Benzoic acid, m-chloro-, 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridyl)ethyl ester, m-Chlorobenzoic acid 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridyl)ethyl ester, 3-chloro-2-[2-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethyl]benzoic acid, 3-Chloro-2-[2-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethyl]benzoic acid, RefChem:327740
| Molecular Formula | C18H24ClNO2 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.14957 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 30914-43-3 |
|---|---|
| SMILES | CC1(CC=CC(N1CCC2=C(C=CC=C2Cl)C(=O)O)(C)C)C |
| InChIKey | IMMOCISJLDODTN-UHFFFAOYSA-N |
Product Overview
RefChem:327740 (CAS 30914-43-3), with molecular formula C18H24ClNO2 and molecular weight 321.15 g/mol. IUPAC: 3-chloro-2-[2-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethyl]benzoic acid.
Chemical Property Profile of RefChem:327740
Property Insights of RefChem:327740
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327740. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:327740 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327740 has 1 hydrogen bond donor(s) and 3 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 RefChem:327740?
The CAS number of RefChem:327740 is 30914-43-3.
What is the molecular formula of RefChem:327740?
The molecular formula of RefChem:327740 is C18H24ClNO2.
What is the molecular weight of RefChem:327740?
The molecular weight of RefChem:327740 is 321.15 g/mol.
Where can I buy RefChem:327740?
You can request a quote for RefChem:327740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327740?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.