RefChem:1056868
TL;DR: RefChem:1056868 (CAS 42505-71-5) is a chemical compound with molecular formula C17H20ClNS2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-N,N-dimethyl-3-(5H-thieno[3,2-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Also Known As: 1-Propanamine, N,N-dimethyl-3-thieno(3,2-c)(2)benzothiepin-10(5H)-ylidene-, hydrochloride, N,N-Dimethyl-3-thieno(3,2-c)(2)benzothiepin-10(5H)-ylidene-1-propanamine hydrochloride, 10-(3-Dimethylaminopropylidene)-5,10-dihydrothieno(3,2-c)-2-benzothiepin hydrochloride, (3E)-N,N-dimethyl-3-(5H-thieno[3,2-c][2]benzothiepin-10-ylidene)propan-1-amine hydrochloride, RefChem:1056868
| Molecular Formula | C17H20ClNS2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 5.159 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07257 |
| Heavy Atoms | 21 |
| Complexity | 631.2253 |
Chemical Identifiers
| CAS Number | 42505-71-5 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=C1SC=C3.Cl |
Product Overview
RefChem:1056868 (CAS 42505-71-5), with molecular formula C17H20ClNS2 and molecular weight 337.07 g/mol. IUPAC: (3E)-N,N-dimethyl-3-(5H-thieno[3,2-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1056868
Property Insights of RefChem:1056868
The XLogP value of 5.159 indicates that RefChem:1056868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, RefChem:1056868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056868 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056868?
The CAS number of RefChem:1056868 is 42505-71-5.
What is the molecular formula of RefChem:1056868?
The molecular formula of RefChem:1056868 is C17H20ClNS2.
What is the molecular weight of RefChem:1056868?
The molecular weight of RefChem:1056868 is 337.07 g/mol.
Where can I buy RefChem:1056868?
You can request a quote for RefChem:1056868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.