RefChem:1056525
TL;DR: RefChem:1056525 (CAS 34661-58-0) is a chemical compound with molecular formula C30H36ClN3O8S and molecular weight 633.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethylethanamine
Also Known As: 1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-dimethyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethylethanamine, RefChem:1056525
| Molecular Formula | C30H36ClN3O8S |
|---|---|
| Molecular Weight | 633.19 g/mol |
| LogP | 3.6912 |
| Topological Polar Surface Area | 158.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 633.19116 |
| Heavy Atoms | 43 |
| Complexity | 1260.2344 |
Chemical Identifiers
| CAS Number | 34661-58-0 |
|---|---|
| SMILES | CN(CCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056525 (CAS 34661-58-0), with molecular formula C30H36ClN3O8S and molecular weight 633.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-dimethylethanamine.
Chemical Property Profile of RefChem:1056525
Property Insights of RefChem:1056525
The XLogP value of 3.6912 indicates that RefChem:1056525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.92 Ų indicates high polarity, suggesting RefChem:1056525 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056525 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056525?
The CAS number of RefChem:1056525 is 34661-58-0.
What is the molecular formula of RefChem:1056525?
The molecular formula of RefChem:1056525 is C30H36ClN3O8S.
What is the molecular weight of RefChem:1056525?
The molecular weight of RefChem:1056525 is 633.19 g/mol.
Where can I buy RefChem:1056525?
You can request a quote for RefChem:1056525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056525?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.