RefChem:1095784
TL;DR: RefChem:1095784 (CAS 101041-06-9) is a chemical compound with molecular formula C29H33ClN2O9S and molecular weight 620.16 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-6-yl)-4-(2-methoxyethyl)piperazine
Also Known As: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine dimaleate, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)piperazine, Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-methoxyethyl)-, maleate (1:2), Cyclohexylidene-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-amine, 1-(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-(2-ethoxy-ethyl)-piperazine
| Molecular Formula | C29H33ClN2O9S |
|---|---|
| Molecular Weight | 620.16 g/mol |
| LogP | 3.776 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.15955 |
| Heavy Atoms | 42 |
| Complexity | 1227.616 |
Chemical Identifiers
| CAS Number | 101041-06-9 |
|---|---|
| SMILES | COCCN1CCN(CC1)C2C3=CC=CC=C3SC4=C(C2)C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095784 (CAS 101041-06-9), with molecular formula C29H33ClN2O9S and molecular weight 620.16 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-methoxyethyl)piperazine.
Chemical Property Profile of RefChem:1095784
Property Insights of RefChem:1095784
The XLogP value of 3.776 indicates that RefChem:1095784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1095784 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095784 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:1095784?
The CAS number of RefChem:1095784 is 101041-06-9.
What is the molecular formula of RefChem:1095784?
The molecular formula of RefChem:1095784 is C29H33ClN2O9S.
What is the molecular weight of RefChem:1095784?
The molecular weight of RefChem:1095784 is 620.16 g/mol.
Where can I buy RefChem:1095784?
You can request a quote for RefChem:1095784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095784?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.