RefChem:1056867
TL;DR: RefChem:1056867 (CAS 42505-86-2) is a chemical compound with molecular formula C17H20ClNOS2 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-N,N-dimethyl-3-(4-oxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Also Known As: cis-N,N-Dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine 10-oxide HCl, 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, 10-oxide, hydrochloride, (Z)-, cis-4-(3-Dimethylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin 10-oxide hydrohcloride, (3Z)-N,N-dimethyl-3-(4-oxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine hydrochloride, RefChem:1056867
| Molecular Formula | C17H20ClNOS2 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 4.1745 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.06747 |
| Heavy Atoms | 22 |
| Complexity | 706.18945 |
Chemical Identifiers
| CAS Number | 42505-86-2 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(SC=C2)S(=O)CC3=CC=CC=C31.Cl |
Product Overview
RefChem:1056867 (CAS 42505-86-2), with molecular formula C17H20ClNOS2 and molecular weight 353.07 g/mol. IUPAC: (3Z)-N,N-dimethyl-3-(4-oxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1056867
Property Insights of RefChem:1056867
The XLogP value of 4.1745 indicates that RefChem:1056867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, RefChem:1056867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056867 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 RefChem:1056867?
The CAS number of RefChem:1056867 is 42505-86-2.
What is the molecular formula of RefChem:1056867?
The molecular formula of RefChem:1056867 is C17H20ClNOS2.
What is the molecular weight of RefChem:1056867?
The molecular weight of RefChem:1056867 is 353.07 g/mol.
Where can I buy RefChem:1056867?
You can request a quote for RefChem:1056867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056867?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.