N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine
TL;DR: N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine (CAS 5802-61-9) is a chemical compound with molecular formula C17H19NS2 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
Also Known As: Dithiadene, bisulepine, Bisulepin, Dithiaden, N,N-Dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidenepropylamine
| Molecular Formula | C17H19NS2 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0959 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 5802-61-9 |
|---|---|
| SMILES | CN(C)CCC=C1C2=C(SCC3=CC=CC=C31)SC=C2 |
| InChIKey | ZLJLUTCIUOCIQM-UHFFFAOYSA-N |
Product Overview
N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine (CAS 5802-61-9), with molecular formula C17H19NS2 and molecular weight 301.10 g/mol. IUPAC: N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine.
Chemical Property Profile of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine
Property Insights of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine
The XLogP value of 4.2 indicates that N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine has 0 hydrogen bond donor(s) and 3 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 N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine?
The CAS number of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine is 5802-61-9.
What is the molecular formula of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine?
The molecular formula of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine is C17H19NS2.
What is the molecular weight of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine?
The molecular weight of N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine is 301.10 g/mol.
Where can I buy N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine?
You can request a quote for N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.