RefChem:305379
TL;DR: RefChem:305379 (CAS 40494-43-7) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetyl]oxyethyl-dimethylazanium chloride
Also Known As: 5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, 2-(dimethylamino)ethyl ester, hydrochloride, 6,7-Dihydro-5H-benzocycloheptene-9-acetic acid 2-(dimethylamino)ethyl ester hydrochloride, 2-[2-(8,9-Dihydro-7H-benzo[7]annulen-3-yl)acetyl]oxyethyl-dimethylazaniumchloride, 2-[2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetyl]oxyethyl-dimethylazanium chloride, RefChem:305379
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 40494-43-7 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)CC1=CC2=C(CCCC=C2)C=C1.[Cl-] |
| InChIKey | UYADWAGJOZXMIS-UHFFFAOYSA-N |
Product Overview
RefChem:305379 (CAS 40494-43-7), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: 2-[2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetyl]oxyethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:305379
Property Insights of RefChem:305379
The XLogP value of -1.73 indicates that RefChem:305379 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:305379 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305379 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:305379?
The CAS number of RefChem:305379 is 40494-43-7.
What is the molecular formula of RefChem:305379?
The molecular formula of RefChem:305379 is C17H24ClNO2.
What is the molecular weight of RefChem:305379?
The molecular weight of RefChem:305379 is 309.15 g/mol.
Where can I buy RefChem:305379?
You can request a quote for RefChem:305379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305379?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.