RefChem:305378
TL;DR: RefChem:305378 (CAS 40494-44-8) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride
Also Known As: 5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, (1-methyl-2-piperidinyl)methyl ester, hydrochloride, (1-methylpiperidin-1-ium-2-yl)methyl2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride, 5H-BENZOCYCLOHEPTENE-9-ACETIC ACID, 6,7-DIHYDRO-, (1-METHYL-2-PIPERIDINYL)METHYL, (1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride, RefChem:305378
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 40494-44-8 |
|---|---|
| SMILES | C[NH+]1CCCCC1COC(=O)CC2=CC3=C(CCCC=C3)C=C2.[Cl-] |
| InChIKey | JMCNJJIQJJJMDL-UHFFFAOYSA-N |
Product Overview
RefChem:305378 (CAS 40494-44-8), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: (1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride.
Chemical Property Profile of RefChem:305378
Property Insights of RefChem:305378
The XLogP value of -0.81 indicates that RefChem:305378 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:305378 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305378 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:305378?
The CAS number of RefChem:305378 is 40494-44-8.
What is the molecular formula of RefChem:305378?
The molecular formula of RefChem:305378 is C20H28ClNO2.
What is the molecular weight of RefChem:305378?
The molecular weight of RefChem:305378 is 349.18 g/mol.
Where can I buy RefChem:305378?
You can request a quote for RefChem:305378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305378?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.