RefChem:1097209
TL;DR: RefChem:1097209 (CAS 58350-12-2) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,12,12a-octahydropyrazino[2,1-b][3]benzazepine;(E)-but-2-enedioic acid
Also Known As: 1,2,3,4,6,7,12,12a-Octahydropyrazino(2,1-b)(3)benzazepine (E)-2-butenedioate (1:1), Pyrazino(2,1-b)(3)benzazepine, 1,2,3,4,6,7,12,12a-octahydro-, (E)-2-butenedioate (1:1), 1,2,3,4,6,7,12,12a-octahydropyrazino[2,1-b][3]benzazepine; (E)-but-2-enedioic acid, RefChem:1097209
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 0.7708 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 569.711 |
Chemical Identifiers
| CAS Number | 58350-12-2 |
|---|---|
| SMILES | C1CN2CCNCC2CC3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097209 (CAS 58350-12-2), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: 1,2,3,4,6,7,12,12a-octahydropyrazino[2,1-b][3]benzazepine;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1097209
Property Insights of RefChem:1097209
The XLogP value of 0.7708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097209. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097209. Following Lipinski's Rule of Five, RefChem:1097209 has 3 hydrogen bond donor(s) and 4 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:1097209?
The CAS number of RefChem:1097209 is 58350-12-2.
What is the molecular formula of RefChem:1097209?
The molecular formula of RefChem:1097209 is C17H22N2O4.
What is the molecular weight of RefChem:1097209?
The molecular weight of RefChem:1097209 is 318.16 g/mol.
Where can I buy RefChem:1097209?
You can request a quote for RefChem:1097209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097209?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.