RefChem:1095950
TL;DR: RefChem:1095950 (CAS 34661-55-7) is a chemical compound with molecular formula C25H25ClN2O4S and molecular weight 484.12 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-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine
Also Known As: 1-(8-Chlorodibenzo(b,f)thiepin-10-yl)-4-(2-propynyl)piperazine maleate, Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-(2-propynyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine, RefChem:1095950
| Molecular Formula | C25H25ClN2O4S |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 4.051 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.12234 |
| Heavy Atoms | 33 |
| Complexity | 1058.3169 |
Chemical Identifiers
| CAS Number | 34661-55-7 |
|---|---|
| SMILES | C#CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095950 (CAS 34661-55-7), with molecular formula C25H25ClN2O4S and molecular weight 484.12 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-prop-2-ynylpiperazine.
Chemical Property Profile of RefChem:1095950
Property Insights of RefChem:1095950
The XLogP value of 4.051 indicates that RefChem:1095950 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:1095950. Following Lipinski's Rule of Five, RefChem:1095950 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:1095950?
The CAS number of RefChem:1095950 is 34661-55-7.
What is the molecular formula of RefChem:1095950?
The molecular formula of RefChem:1095950 is C25H25ClN2O4S.
What is the molecular weight of RefChem:1095950?
The molecular weight of RefChem:1095950 is 484.12 g/mol.
Where can I buy RefChem:1095950?
You can request a quote for RefChem:1095950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095950?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.