RefChem:1075626
TL;DR: RefChem:1075626 (CAS 79535-60-7) is a chemical compound with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl (2E)-2-(8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-ylidene)acetate;hydrochloride
Also Known As: Acetic acid, (4a,9b-dihydro-8,9b-dimethyl-3(4H)-dibenzofuranylidene)-, 2-(diethylamino)ethyl ester, hydrochloride, 2-diethylaminoethyl (2E)-2-(8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-ylidene)acetate Hydrochloride, RefChem:1075626
| Molecular Formula | C22H30ClNO3 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | 4.20682 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.1914 |
| Heavy Atoms | 27 |
| Complexity | 739.0735 |
Chemical Identifiers
| CAS Number | 79535-60-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)/C=C/1\CC2C(C=C1)(C3=C(O2)C=CC(=C3)C)C.Cl |
Product Overview
RefChem:1075626 (CAS 79535-60-7), with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol. IUPAC: 2-(diethylamino)ethyl (2E)-2-(8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-ylidene)acetate;hydrochloride.
Chemical Property Profile of RefChem:1075626
Property Insights of RefChem:1075626
The XLogP value of 4.20682 indicates that RefChem:1075626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:1075626 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075626 has 0 hydrogen bond donor(s) and 4 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:1075626?
The CAS number of RefChem:1075626 is 79535-60-7.
What is the molecular formula of RefChem:1075626?
The molecular formula of RefChem:1075626 is C22H30ClNO3.
What is the molecular weight of RefChem:1075626?
The molecular weight of RefChem:1075626 is 391.19 g/mol.
Where can I buy RefChem:1075626?
You can request a quote for RefChem:1075626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075626?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.