RefChem:1057869
TL;DR: RefChem:1057869 (CAS 83494-45-5) 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;N,N-dipropyl-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-amine
Also Known As: 3,4,5,6-Tetrahydro-N,N-dipropyl-1H-cyclohept(cd)indol-5-amine (Z)-2-butenedioate (1:1), 1H-Cyclohept(cd)indol-5-amine, 3,4,5,6-tetrahydro-N,N-dipropyl-, (Z)-2-butenedioate (1:1), N,N-Dipropyl 3,4,5,6-tetrahydro 1H-cyclohept-(c,d)-indol-5-amine Z-butenedioate (1:1), RefChem:1057869
| Molecular Formula | C22H30N2O4 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 3.859 |
| Topological Polar Surface Area | 93.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.22055 |
| Heavy Atoms | 28 |
| Complexity | 803.05115 |
Chemical Identifiers
| CAS Number | 83494-45-5 |
|---|---|
| SMILES | CCCN(CCC)C1CCC2=CNC3=CC=CC(=C23)C1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057869 (CAS 83494-45-5), with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dipropyl-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-amine.
Chemical Property Profile of RefChem:1057869
Property Insights of RefChem:1057869
The XLogP value of 3.859 indicates that RefChem:1057869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057869. Following Lipinski's Rule of Five, RefChem:1057869 has 3 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:1057869?
The CAS number of RefChem:1057869 is 83494-45-5.
What is the molecular formula of RefChem:1057869?
The molecular formula of RefChem:1057869 is C22H30N2O4.
What is the molecular weight of RefChem:1057869?
The molecular weight of RefChem:1057869 is 386.22 g/mol.
Where can I buy RefChem:1057869?
You can request a quote for RefChem:1057869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.