RefChem:337191
TL;DR: RefChem:337191 (CAS 51723-68-3) is a chemical compound with molecular formula C22H33N3O8S4 and molecular weight 595.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
Also Known As: 8-(Dimethylsulfamoyl)-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate, Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate, N,N-Dimethyl-6-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-8-sulfonamide; methanesulfonic acid, DIBENZO(b,f)THIEPIN-2-SULFONAMIDE, 10,11-DIHYDRO-N,N-DIMETHYL-11-(1-PIPERAZINYL), Methanesulfonic acid--N,N-dimethyl-11-(piperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-sulfonamide (2/1)
| Molecular Formula | C22H33N3O8S4 |
|---|---|
| Molecular Weight | 595.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 595.11505 |
| Heavy Atoms | 37 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 51723-68-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | DTNTUYXPHPCRFI-UHFFFAOYSA-N |
Product Overview
RefChem:337191 (CAS 51723-68-3), with molecular formula C22H33N3O8S4 and molecular weight 595.12 g/mol. IUPAC: N,N-dimethyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid.
Chemical Property Profile of RefChem:337191
Property Insights of RefChem:337191
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337191. The TPSA of 212.0 Ų indicates high polarity, suggesting RefChem:337191 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:337191 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337191?
The CAS number of RefChem:337191 is 51723-68-3.
What is the molecular formula of RefChem:337191?
The molecular formula of RefChem:337191 is C22H33N3O8S4.
What is the molecular weight of RefChem:337191?
The molecular weight of RefChem:337191 is 595.12 g/mol.
Where can I buy RefChem:337191?
You can request a quote for RefChem:337191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337191?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.