11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)
TL;DR: 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) (CAS 81890-73-5) is a chemical compound with molecular formula C20H23NO4S2 and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethylpropan-1-amine;oxalic acid
Also Known As: N,N-Dimethyl-11H-dibenzo(b,e)(1,4)dithiepin-11-propanamine oxalate, 11-(3-Dimethylaminopropyl)-11H-dibenzo(b,e)-1,4-dithiepin hydrogen oxalate, 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1), 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethylpropan-1-amine;oxalic acid, N-[3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)propyl]-N,N-dimethylamine
| Molecular Formula | C20H23NO4S2 |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.482 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.10684 |
| Heavy Atoms | 27 |
| Complexity | 783.0561 |
Chemical Identifiers
| CAS Number | 81890-73-5 |
|---|---|
| SMILES | CN(C)CCCC1C2=CC=CC=C2SC3=CC=CC=C3S1.C(=O)(C(=O)O)O |
Product Overview
11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) (CAS 81890-73-5), with molecular formula C20H23NO4S2 and molecular weight 405.11 g/mol. IUPAC: 3-(6H-benzo[c][1,5]benzodithiepin-6-yl)-N,N-dimethylpropan-1-amine;oxalic acid.
Chemical Property Profile of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)
Property Insights of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)
The XLogP value of 4.482 indicates that 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1). Following Lipinski's Rule of Five, 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 5 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 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)?
The CAS number of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) is 81890-73-5.
What is the molecular formula of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)?
The molecular formula of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) is C20H23NO4S2.
What is the molecular weight of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)?
The molecular weight of 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) is 405.11 g/mol.
Where can I buy 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)?
You can request a quote for 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 11H-Dibenzo(b,e)(1,4)dithiepin-11-propanamine, N,N-dimethyl-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.