RefChem:337180
TL;DR: RefChem:337180 (CAS 60969-84-8) is a chemical compound with molecular formula C19H24Br2N2O2S and molecular weight 501.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide
Also Known As: Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, hydrobromide, hydrate (1:2:2), 2,3-Dihydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrobromide 2H2O, 6-(4-Methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-dioldihydrobromide, 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrobromide, DIBENZO(b,f)THIEPIN-2,3-DIOL, 10,11-DIHYDRO-10-(4-METHYL-1-PIPERAZINYL)-, HYDROB
| Molecular Formula | C19H24Br2N2O2S |
|---|---|
| Molecular Weight | 501.99 g/mol |
| LogP | 4.25 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 503.99048 |
| Heavy Atoms | 26 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 60969-84-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)O)O.Br.Br |
| InChIKey | LEYVLSXJYHBPRM-UHFFFAOYSA-N |
Product Overview
RefChem:337180 (CAS 60969-84-8), with molecular formula C19H24Br2N2O2S and molecular weight 501.99 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide.
Chemical Property Profile of RefChem:337180
Property Insights of RefChem:337180
The XLogP value of 4.25 indicates that RefChem:337180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337180. Following Lipinski's Rule of Five, RefChem:337180 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337180?
The CAS number of RefChem:337180 is 60969-84-8.
What is the molecular formula of RefChem:337180?
The molecular formula of RefChem:337180 is C19H24Br2N2O2S.
What is the molecular weight of RefChem:337180?
The molecular weight of RefChem:337180 is 501.99 g/mol.
Where can I buy RefChem:337180?
You can request a quote for RefChem:337180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337180?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.