RefChem:1056646
TL;DR: RefChem:1056646 (CAS 51490-35-8) is a chemical compound with molecular formula C22H29N3O4 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]propanenitrile
Also Known As: 2-(4-(2-Cyanoethyl)piperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate, 1-Piperazinepropanenitrile, 4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1), 4-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)-1-piperazinepropanenitrile maleate, (E)-but-2-enedioic acid; 3-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]propanenitrile, RefChem:1056646
| Molecular Formula | C22H29N3O4 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 2.70298 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.21582 |
| Heavy Atoms | 29 |
| Complexity | 745.81116 |
Chemical Identifiers
| CAS Number | 51490-35-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)N3CCN(CC3)CCC#N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056646 (CAS 51490-35-8), with molecular formula C22H29N3O4 and molecular weight 399.22 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazin-1-yl]propanenitrile.
Chemical Property Profile of RefChem:1056646
Property Insights of RefChem:1056646
The XLogP value of 2.70298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056646. The TPSA of 104.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056646. Following Lipinski's Rule of Five, RefChem:1056646 has 2 hydrogen bond donor(s) and 5 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:1056646?
The CAS number of RefChem:1056646 is 51490-35-8.
What is the molecular formula of RefChem:1056646?
The molecular formula of RefChem:1056646 is C22H29N3O4.
What is the molecular weight of RefChem:1056646?
The molecular weight of RefChem:1056646 is 399.22 g/mol.
Where can I buy RefChem:1056646?
You can request a quote for RefChem:1056646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056646?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.