RefChem:1095985
TL;DR: RefChem:1095985 (CAS 55037-98-4) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazin-1-yl]ethanone
Also Known As: 1-Acetyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)piperazine maleate, Piperazine, 1-acetyl-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:1), 2-(4-Acetylpiperazinomethyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrogen maleate, (E)-but-2-enedioic acid; 1-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazin-1-yl]ethanone, RefChem:1095985
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 2.3314 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 735.5696 |
Chemical Identifiers
| CAS Number | 55037-98-4 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095985 (CAS 55037-98-4), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazin-1-yl]ethanone.
Chemical Property Profile of RefChem:1095985
Property Insights of RefChem:1095985
The XLogP value of 2.3314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095985. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095985. Following Lipinski's Rule of Five, RefChem:1095985 has 2 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:1095985?
The CAS number of RefChem:1095985 is 55037-98-4.
What is the molecular formula of RefChem:1095985?
The molecular formula of RefChem:1095985 is C22H30N2O5.
What is the molecular weight of RefChem:1095985?
The molecular weight of RefChem:1095985 is 402.22 g/mol.
Where can I buy RefChem:1095985?
You can request a quote for RefChem:1095985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.