RefChem:1095935
TL;DR: RefChem:1095935 (CAS 59698-57-6) is a chemical compound with molecular formula C35H37ClN2O8S and molecular weight 680.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(3-phenylpropyl)piperazine dimaleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(3-phenylpropyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine, RefChem:1095935
| Molecular Formula | C35H37ClN2O8S |
|---|---|
| Molecular Weight | 680.20 g/mol |
| LogP | 5.7624 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 680.1959 |
| Heavy Atoms | 47 |
| Complexity | 1506.7537 |
Chemical Identifiers
| CAS Number | 59698-57-6 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCC5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095935 (CAS 59698-57-6), with molecular formula C35H37ClN2O8S and molecular weight 680.20 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(3-phenylpropyl)piperazine.
Chemical Property Profile of RefChem:1095935
Property Insights of RefChem:1095935
The XLogP value of 5.7624 indicates that RefChem:1095935 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095935 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095935 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095935?
The CAS number of RefChem:1095935 is 59698-57-6.
What is the molecular formula of RefChem:1095935?
The molecular formula of RefChem:1095935 is C35H37ClN2O8S.
What is the molecular weight of RefChem:1095935?
The molecular weight of RefChem:1095935 is 680.20 g/mol.
Where can I buy RefChem:1095935?
You can request a quote for RefChem:1095935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095935?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.