11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)
TL;DR: 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) (CAS 87997-51-1) is a chemical compound with molecular formula C29H34N2O8S and molecular weight 570.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate), Dibenzo(b,e)thiepin-11-ethanamine, 6,11-dihydro-11-(1-iminopropyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:2), DIBENZO(b,e)THIEPIN-11-ETHANAMINE, 6,11-DIHYDRO-11-(1-IMINOPROPYL)-N,N-DIMETHYL-, 2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083310
| Molecular Formula | C29H34N2O8S |
|---|---|
| Molecular Weight | 570.20 g/mol |
| LogP | -1.5227 |
| Topological Polar Surface Area | 184.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 570.2036 |
| Heavy Atoms | 40 |
| Complexity | 1156.6852 |
Chemical Identifiers
| CAS Number | 87997-51-1 |
|---|---|
| SMILES | CCC(=[NH2+])C1(C2=CC=CC=C2SCC3=CC=CC=C13)CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) (CAS 87997-51-1), with molecular formula C29H34N2O8S and molecular weight 570.20 g/mol. IUPAC: 2-[11-(1-azaniumylidenepropyl)-6H-benzo[c][1]benzothiepin-11-yl]ethyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)
Property Insights of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)
The XLogP value of -1.5227 indicates that 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.89 Ų indicates high polarity, suggesting 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) 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 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)?
The CAS number of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) is 87997-51-1.
What is the molecular formula of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)?
The molecular formula of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) is C29H34N2O8S.
What is the molecular weight of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)?
The molecular weight of 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) is 570.20 g/mol.
Where can I buy 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)?
You can request a quote for 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate)?
Yes, KEHONG BIO provides custom synthesis services for 11-(1-Iminopropyl)-11-(2-dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin bis(maleate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.