5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate
TL;DR: 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate (CAS 15475-36-2) is a chemical compound with molecular formula C26H35NO5 and molecular weight 441.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)pentan-1-amine;oxalic acid
Also Known As: 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate, Pentylamine, 4-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-N,N-diethyl-, oxalate (1:1), Oxalic acid--4-[(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]-N,N-diethylpentan-1-amine (1/1), RefChem:368289
| Molecular Formula | C26H35NO5 |
|---|---|
| Molecular Weight | 441.25 g/mol |
| LogP | 4.5573 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.25153 |
| Heavy Atoms | 32 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 15475-36-2 |
|---|---|
| SMILES | CCN(CC)CCCC(C)OC1C2=CC=CC=C2CCC3=CC=CC=C13.C(=O)(C(=O)O)O |
| InChIKey | JXTBXVMFWJFISO-UHFFFAOYSA-N |
Product Overview
5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate (CAS 15475-36-2), with molecular formula C26H35NO5 and molecular weight 441.25 g/mol. IUPAC: N,N-diethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)pentan-1-amine;oxalic acid.
Chemical Property Profile of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate
Property Insights of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate
The XLogP value of 4.5573 indicates that 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate. Following Lipinski's Rule of Five, 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate has 2 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 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate?
The CAS number of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate is 15475-36-2.
What is the molecular formula of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate?
The molecular formula of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate is C26H35NO5.
What is the molecular weight of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate?
The molecular weight of 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate is 441.25 g/mol.
Where can I buy 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate?
You can request a quote for 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(Diethylamino)-1-methylbutoxy)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.