RefChem:1095850
TL;DR: RefChem:1095850 (CAS 55037-77-9) is a chemical compound with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chlorophenyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Also Known As: Piperazine, 1-(3-chlorophenyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chlorophenyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine, RefChem:1095850
| Molecular Formula | C26H31ClN2O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 4.6429 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.19724 |
| Heavy Atoms | 33 |
| Complexity | 968.0072 |
Chemical Identifiers
| CAS Number | 55037-77-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)CN3CCN(CC3)C4=CC(=CC=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095850 (CAS 55037-77-9), with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chlorophenyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1095850
Property Insights of RefChem:1095850
The XLogP value of 4.6429 indicates that RefChem:1095850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095850. Following Lipinski's Rule of Five, RefChem:1095850 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:1095850?
The CAS number of RefChem:1095850 is 55037-77-9.
What is the molecular formula of RefChem:1095850?
The molecular formula of RefChem:1095850 is C26H31ClN2O4.
What is the molecular weight of RefChem:1095850?
The molecular weight of RefChem:1095850 is 470.20 g/mol.
Where can I buy RefChem:1095850?
You can request a quote for RefChem:1095850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095850?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.