RefChem:337186
TL;DR: RefChem:337186 (CAS 58721-95-2) is a chemical compound with molecular formula C22H35N3O9S4 and molecular weight 613.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;[6-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]azanium
Also Known As: Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate, 10,11-Dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-amine trimethanesulfonate, 2-Amino-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin tris(methanesulfonate), methanesulfonate; [6-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]azanium, RefChem:337186
| Molecular Formula | C22H35N3O9S4 |
|---|---|
| Molecular Weight | 613.13 g/mol |
| LogP | -2.79 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 613.1256 |
| Heavy Atoms | 38 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 58721-95-2 |
|---|---|
| SMILES | C[NH+]1CC[NH+](CC1)C2CC3=C(C=CC(=C3)[NH3+])SC4=CC=CC=C24.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
| InChIKey | NSVLDXMDOQTHHB-UHFFFAOYSA-N |
Product Overview
RefChem:337186 (CAS 58721-95-2), with molecular formula C22H35N3O9S4 and molecular weight 613.13 g/mol. IUPAC: methanesulfonate;[6-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]azanium.
Chemical Property Profile of RefChem:337186
Property Insights of RefChem:337186
The XLogP value of -2.79 indicates that RefChem:337186 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting RefChem:337186 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:337186 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337186?
The CAS number of RefChem:337186 is 58721-95-2.
What is the molecular formula of RefChem:337186?
The molecular formula of RefChem:337186 is C22H35N3O9S4.
What is the molecular weight of RefChem:337186?
The molecular weight of RefChem:337186 is 613.13 g/mol.
Where can I buy RefChem:337186?
You can request a quote for RefChem:337186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337186?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.