RefChem:1079014
TL;DR: RefChem:1079014 (CAS 28493-86-9) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 3,4-dihydro-2H-1,4-ethanoquinolin-3-yl ester hydrochloride, 3-(3',4',5'-Trimethoxybenzoyloxy)benz(b)quinuclidine hydrochloride, Benzoic acid, 3,4,5-trimethoxy-, 3,4-dihydro-2H-1,4-ethanoquinolin-3-yl ester, hydrochloride, 3,4-dihydro-2h-1,4-ethanoquinolin-3-yl 3,4,5-trimethoxybenzoate hydrochloride(1:1), 3,4-Dihydro-2H-1,4-ethanoquinolin-3-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.6671 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 28493-86-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CN3CCC2C4=CC=CC=C43.Cl |
| InChIKey | HAGDRGDNBARXPR-UHFFFAOYSA-N |
Product Overview
RefChem:1079014 (CAS 28493-86-9), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of RefChem:1079014
Property Insights of RefChem:1079014
The XLogP value of 3.6671 indicates that RefChem:1079014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, RefChem:1079014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079014 has 1 hydrogen bond donor(s) and 6 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:1079014?
The CAS number of RefChem:1079014 is 28493-86-9.
What is the molecular formula of RefChem:1079014?
The molecular formula of RefChem:1079014 is C21H24ClNO5.
What is the molecular weight of RefChem:1079014?
The molecular weight of RefChem:1079014 is 405.13 g/mol.
Where can I buy RefChem:1079014?
You can request a quote for RefChem:1079014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079014?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.