Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-
TL;DR: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- (CAS 21465-96-3) is a chemical compound with molecular formula C24H27NO5S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-, DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)-PROPYLAMINE, N,N,2-TRIMETHYL-, 5-OXI, dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083322
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 0.95962 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 1024.0153 |
Chemical Identifiers
| CAS Number | 21465-96-3 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)S(=O)CC3=CC=CC=C3/C2=C/CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- (CAS 21465-96-3), with molecular formula C24H27NO5S and molecular weight 441.16 g/mol. IUPAC: dimethyl-[(3Z)-3-(2-methyl-5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-
Property Insights of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-
The XLogP value of 0.95962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- 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 Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-?
The CAS number of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- is 21465-96-3.
What is the molecular formula of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-?
The molecular formula of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- is C24H27NO5S.
What is the molecular weight of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-?
The molecular weight of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- is 441.16 g/mol.
Where can I buy Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-?
You can request a quote for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.