RefChem:1068664
TL;DR: RefChem:1068664 (CAS 41948-70-3) is a chemical compound with molecular formula C10H14ClNO2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propynyl ester, hydrochloride, 2-Propynyl 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylate hydrochloride, prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrochloride, Prop-2-yn-1-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride, Prop-2-yn-1-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C10H14ClNO2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 0.8465 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0713 |
| Heavy Atoms | 14 |
| Complexity | 267.7858 |
Chemical Identifiers
| CAS Number | 41948-70-3 |
|---|---|
| SMILES | CN1CCC=C(C1)C(=O)OCC#C.Cl |
Product Overview
RefChem:1068664 (CAS 41948-70-3), with molecular formula C10H14ClNO2 and molecular weight 215.07 g/mol. IUPAC: prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1068664
Property Insights of RefChem:1068664
The XLogP value of 0.8465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068664. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:1068664 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068664 has 0 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:1068664?
The CAS number of RefChem:1068664 is 41948-70-3.
What is the molecular formula of RefChem:1068664?
The molecular formula of RefChem:1068664 is C10H14ClNO2.
What is the molecular weight of RefChem:1068664?
The molecular weight of RefChem:1068664 is 215.07 g/mol.
Where can I buy RefChem:1068664?
You can request a quote for RefChem:1068664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068664?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.