RefChem:1056671
TL;DR: RefChem:1056671 (CAS 25558-95-6) is a chemical compound with molecular formula C25H29ClN2O6 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 4-(8-Chloro-10,11-dihydrodibenz(b,f)oxepin-10-yl)-1-piperazinepropanol maleate, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenz(b,f)oxepin-10-yl)-, maleate (1:1), (Z)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol, RefChem:1056671
| Molecular Formula | C25H29ClN2O6 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 3.4413 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.17142 |
| Heavy Atoms | 34 |
| Complexity | 1004.2155 |
Chemical Identifiers
| CAS Number | 25558-95-6 |
|---|---|
| SMILES | C1CN(CCN1CCCO)C2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056671 (CAS 25558-95-6), with molecular formula C25H29ClN2O6 and molecular weight 488.17 g/mol. IUPAC: (Z)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056671
Property Insights of RefChem:1056671
The XLogP value of 3.4413 indicates that RefChem:1056671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056671. Following Lipinski's Rule of Five, RefChem:1056671 has 3 hydrogen bond donor(s) and 6 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:1056671?
The CAS number of RefChem:1056671 is 25558-95-6.
What is the molecular formula of RefChem:1056671?
The molecular formula of RefChem:1056671 is C25H29ClN2O6.
What is the molecular weight of RefChem:1056671?
The molecular weight of RefChem:1056671 is 488.17 g/mol.
Where can I buy RefChem:1056671?
You can request a quote for RefChem:1056671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056671?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.