RefChem:1056373
TL;DR: RefChem:1056373 (CAS 86759-10-6) is a chemical compound with molecular formula C31H39Cl3N4O2S and molecular weight 636.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenoxy]-N,N-dimethylethanamine;dihydrochloride
Also Known As: 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((4-(2-(dimethylamino)ethoxy)-3-ethoxyphenyl)methylene)-, dihydrochloride, hydrate, RefChem:1056373
| Molecular Formula | C31H39Cl3N4O2S |
|---|---|
| Molecular Weight | 636.19 g/mol |
| LogP | 6.9228 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 636.1859 |
| Heavy Atoms | 41 |
| Complexity | 1302.1046 |
Chemical Identifiers
| CAS Number | 86759-10-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl)OCCN(C)C.Cl.Cl |
Product Overview
RefChem:1056373 (CAS 86759-10-6), with molecular formula C31H39Cl3N4O2S and molecular weight 636.19 g/mol. IUPAC: 2-[4-[(E)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenoxy]-N,N-dimethylethanamine;dihydrochloride.
Chemical Property Profile of RefChem:1056373
Property Insights of RefChem:1056373
The XLogP value of 6.9228 indicates that RefChem:1056373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, RefChem:1056373 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056373 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056373?
The CAS number of RefChem:1056373 is 86759-10-6.
What is the molecular formula of RefChem:1056373?
The molecular formula of RefChem:1056373 is C31H39Cl3N4O2S.
What is the molecular weight of RefChem:1056373?
The molecular weight of RefChem:1056373 is 636.19 g/mol.
Where can I buy RefChem:1056373?
You can request a quote for RefChem:1056373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056373?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.