RefChem:1095835
TL;DR: RefChem:1095835 (CAS 55407-79-9) is a chemical compound with molecular formula C20H25Cl3N2S2 and molecular weight 462.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propyl]-4-methylpiperazine;dihydrochloride
Also Known As: C20H23ClN2S2.2ClH.3/2H2O, C20-H23-Cl-N2-S2.2Cl-H.3/2H2-O, Piperazine, 1-(3-(6-chlorothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)propyl)-4-methyl-, hydrochloride, hydrate (2:4:3), 1-[(3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propyl]-4-methylpiperazine dihydrochloride, RefChem:1095835
| Molecular Formula | C20H25Cl3N2S2 |
|---|---|
| Molecular Weight | 462.05 g/mol |
| LogP | 5.92 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.05246 |
| Heavy Atoms | 27 |
| Complexity | 783.28406 |
Chemical Identifiers
| CAS Number | 55407-79-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC/C=C\2/C3=C(SCC4=C2C=C(C=C4)Cl)SC=C3.Cl.Cl |
Product Overview
RefChem:1095835 (CAS 55407-79-9), with molecular formula C20H25Cl3N2S2 and molecular weight 462.05 g/mol. IUPAC: 1-[(3E)-3-(8-chloro-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propyl]-4-methylpiperazine;dihydrochloride.
Chemical Property Profile of RefChem:1095835
Property Insights of RefChem:1095835
The XLogP value of 5.92 indicates that RefChem:1095835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, RefChem:1095835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1095835 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095835?
The CAS number of RefChem:1095835 is 55407-79-9.
What is the molecular formula of RefChem:1095835?
The molecular formula of RefChem:1095835 is C20H25Cl3N2S2.
What is the molecular weight of RefChem:1095835?
The molecular weight of RefChem:1095835 is 462.05 g/mol.
Where can I buy RefChem:1095835?
You can request a quote for RefChem:1095835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.