2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate
TL;DR: 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate (CAS 70145-67-4) is a chemical compound with molecular formula C28H35NO10 and molecular weight 545.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethoxy]ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate, 5H-Dibenzo(a,d)cycloheptene-5-carboxylic acid, 10,11-dihydro-, 2-(dimethylaminoethoxy)ethyl ester, citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-[2-(dimethylamino)ethoxy]ethyl 10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carboxylate (1/1), RefChem:305578
| Molecular Formula | C28H35NO10 |
|---|---|
| Molecular Weight | 545.23 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 170.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 545.2261 |
| Heavy Atoms | 39 |
| Complexity | 1083.1686 |
Chemical Identifiers
| CAS Number | 70145-67-4 |
|---|---|
| SMILES | CN(C)CCOCCOC(=O)C1C2=CC=CC=C2CCC3=CC=CC=C13.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate (CAS 70145-67-4), with molecular formula C28H35NO10 and molecular weight 545.23 g/mol. IUPAC: 2-[2-(dimethylamino)ethoxy]ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate
Property Insights of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate. The TPSA of 170.9 Ų indicates high polarity, suggesting 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate?
The CAS number of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate is 70145-67-4.
What is the molecular formula of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate?
The molecular formula of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate is C28H35NO10.
What is the molecular weight of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate?
The molecular weight of 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate is 545.23 g/mol.
Where can I buy 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate?
You can request a quote for 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylaminoethoxy)ethyl dibenzo(a,d)cycloheptadiene-5-carboxylate citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.