3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate
TL;DR: 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate (CAS 84964-58-9) is a chemical compound with molecular formula C29H31NO4S and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate, Dibenzo(b,e)thiepin-3-propanamine, 6,11-dihydro-N,N-dimethyl-11-phenyl-, (Z)-2-butenedioate (1:1), DIBENZO(b,e)THIEPIN-3-PROPANAMINE, 6,11-DIHYDRO-N,N-DIMETHYL-11-PHENYL-, (Z)-2-B, dimethyl-[3-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083316
| Molecular Formula | C29H31NO4S |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 2.9267 |
| Topological Polar Surface Area | 81.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1974 |
| Heavy Atoms | 35 |
| Complexity | 1158.3091 |
Chemical Identifiers
| CAS Number | 84964-58-9 |
|---|---|
| SMILES | C[NH+](C)CCCC1=CC2=C(C=C1)C(C3=CC=CC=C3CS2)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate (CAS 84964-58-9), with molecular formula C29H31NO4S and molecular weight 489.20 g/mol. IUPAC: dimethyl-[3-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate
Property Insights of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate
The XLogP value of 2.9267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate. The TPSA of 81.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate. Following Lipinski's Rule of Five, 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate has 2 hydrogen bond donor(s) and 4 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 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate?
The CAS number of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate is 84964-58-9.
What is the molecular formula of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate?
The molecular formula of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate is C29H31NO4S.
What is the molecular weight of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate?
The molecular weight of 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate is 489.20 g/mol.
Where can I buy 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate?
You can request a quote for 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.