RefChem:1083297
TL;DR: RefChem:1083297 (CAS 18180-91-1) is a chemical compound with molecular formula C29H36N2O8 and molecular weight 540.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine
Also Known As: 6-(2-(Diethylamino)ethyl)-5,6,7,12-tetrahydro-dibenz(c,f)azocine dimaleate, Dibenz(c,f)azocine, 6-(2-(diethylamino)ethyl)-5,6,7,12-tetrahydro-, maleate (1:2), (Z)-but-2-enedioic acid; 2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine, RefChem:1083297
| Molecular Formula | C29H36N2O8 |
|---|---|
| Molecular Weight | 540.25 g/mol |
| LogP | 3.3584 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.2472 |
| Heavy Atoms | 39 |
| Complexity | 1041.9814 |
Chemical Identifiers
| CAS Number | 18180-91-1 |
|---|---|
| SMILES | CCN(CCN1CC2=CC=CC=C2CC3=CC=CC=C3C1)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083297 (CAS 18180-91-1), with molecular formula C29H36N2O8 and molecular weight 540.25 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine.
Chemical Property Profile of RefChem:1083297
Property Insights of RefChem:1083297
The XLogP value of 3.3584 indicates that RefChem:1083297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1083297 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083297 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083297?
The CAS number of RefChem:1083297 is 18180-91-1.
What is the molecular formula of RefChem:1083297?
The molecular formula of RefChem:1083297 is C29H36N2O8.
What is the molecular weight of RefChem:1083297?
The molecular weight of RefChem:1083297 is 540.25 g/mol.
Where can I buy RefChem:1083297?
You can request a quote for RefChem:1083297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083297?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.