RefChem:1099953
TL;DR: RefChem:1099953 (CAS 16220-43-2) is a chemical compound with molecular formula C17H20ClNO2S2 and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(4,4-dioxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: 4-(3-Dimethylaminopropylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin-10,10-dioxide HCl, Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, N,N-dimethyl-, 10,10-dioxide, hydrochloride, (3E)-3-(4,4-dioxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine hydrochloride, RefChem:1099953
| Molecular Formula | C17H20ClNO2S2 |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 3.8406 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0624 |
| Heavy Atoms | 23 |
| Complexity | 822.62384 |
Chemical Identifiers
| CAS Number | 16220-43-2 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=C(SC=C2)S(=O)(=O)CC3=CC=CC=C31.Cl |
Product Overview
RefChem:1099953 (CAS 16220-43-2), with molecular formula C17H20ClNO2S2 and molecular weight 369.06 g/mol. IUPAC: (3E)-3-(4,4-dioxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1099953
Property Insights of RefChem:1099953
The XLogP value of 3.8406 indicates that RefChem:1099953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, RefChem:1099953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1099953 has 0 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 RefChem:1099953?
The CAS number of RefChem:1099953 is 16220-43-2.
What is the molecular formula of RefChem:1099953?
The molecular formula of RefChem:1099953 is C17H20ClNO2S2.
What is the molecular weight of RefChem:1099953?
The molecular weight of RefChem:1099953 is 369.06 g/mol.
Where can I buy RefChem:1099953?
You can request a quote for RefChem:1099953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099953?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.