RefChem:305371
TL;DR: RefChem:305371 (CAS 40494-40-4) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Also Known As: 6,7,8,9-Tetrahydro-5H-benzocycloheptene-5-acetic acid 2-(dimethylamino)ethyl ester, 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 2-(dimethylamino)ethyl ester, 2-(Dimethylamino)ethyl (6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate, 2-dimethylaminoethyl 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate, BRN 1992664
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 40494-40-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)CC1CCCCC2=CC=CC=C12 |
| InChIKey | KKVLTTUITAEBQM-UHFFFAOYSA-N |
Product Overview
RefChem:305371 (CAS 40494-40-4), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate.
Chemical Property Profile of RefChem:305371
Property Insights of RefChem:305371
The XLogP value of 3.5 indicates that RefChem:305371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:305371 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305371 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:305371?
The CAS number of RefChem:305371 is 40494-40-4.
What is the molecular formula of RefChem:305371?
The molecular formula of RefChem:305371 is C17H25NO2.
What is the molecular weight of RefChem:305371?
The molecular weight of RefChem:305371 is 275.19 g/mol.
Where can I buy RefChem:305371?
You can request a quote for RefChem:305371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305371?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.