RefChem:337188
TL;DR: RefChem:337188 (CAS 43183-08-0) is a chemical compound with molecular formula C19H24Cl2N2OS and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol;dihydrochloride
Also Known As: Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, dihydrochloride, 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-ol dihydrochloride, 8-Hydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride, 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol dihydrochloride, 11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-ol--hydrogen chloride (1/2)
| Molecular Formula | C19H24Cl2N2OS |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.09863 |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 43183-08-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)O.Cl.Cl |
| InChIKey | RBCZWRDOQXCUKT-UHFFFAOYSA-N |
Product Overview
RefChem:337188 (CAS 43183-08-0), with molecular formula C19H24Cl2N2OS and molecular weight 398.10 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol;dihydrochloride.
Chemical Property Profile of RefChem:337188
Property Insights of RefChem:337188
The XLogP value of 4.23 indicates that RefChem:337188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:337188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337188 has 3 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:337188?
The CAS number of RefChem:337188 is 43183-08-0.
What is the molecular formula of RefChem:337188?
The molecular formula of RefChem:337188 is C19H24Cl2N2OS.
What is the molecular weight of RefChem:337188?
The molecular weight of RefChem:337188 is 398.10 g/mol.
Where can I buy RefChem:337188?
You can request a quote for RefChem:337188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.