RefChem:1073439
TL;DR: RefChem:1073439 (CAS 17929-96-3) is a chemical compound with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
Also Known As: 6,7,8,9,10,11-Hexahydro-5-(2-(dimethylamino)ethyl)-5H-cyclooct(b)indole fumarate, 5H-Cyclooct(b)indole, 6,7,8,9,10,11-hexahydro-5-(2-(dimethylamino)ethyl)-, fumarate (1:1), (E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine, RefChem:1073439
| Molecular Formula | C22H30N2O4 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 3.5737 |
| Topological Polar Surface Area | 82.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.22055 |
| Heavy Atoms | 28 |
| Complexity | 820.4195 |
Chemical Identifiers
| CAS Number | 17929-96-3 |
|---|---|
| SMILES | CN(C)CCN1C2=C(CCCCCC2)C3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073439 (CAS 17929-96-3), with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine.
Chemical Property Profile of RefChem:1073439
Property Insights of RefChem:1073439
The XLogP value of 3.5737 indicates that RefChem:1073439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073439. Following Lipinski's Rule of Five, RefChem:1073439 has 2 hydrogen bond donor(s) and 3 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:1073439?
The CAS number of RefChem:1073439 is 17929-96-3.
What is the molecular formula of RefChem:1073439?
The molecular formula of RefChem:1073439 is C22H30N2O4.
What is the molecular weight of RefChem:1073439?
The molecular weight of RefChem:1073439 is 386.22 g/mol.
Where can I buy RefChem:1073439?
You can request a quote for RefChem:1073439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073439?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.