RefChem:337192
TL;DR: RefChem:337192 (CAS 51723-70-7) is a chemical compound with molecular formula C25H39N3O9S4 and molecular weight 653.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
Also Known As: C23H31N3O3S2.2CH4O3S.1/2H2O, Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(4-(3-hydroxypropyl)-1-piperazinyl)-, methanesulfonate, hydrate (2:4:1), C23-H31-N3-O3-S2.2C-H4-O3-S.1/2H2-O, 6-[4-(3-Hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-8-sulfonamide; methanesulfonic acid, DIBENZO(b,f)THIEPIN-2-SULFONAMIDE, 10,11-DIHYDRO-N,N-DIMETHYL-11-(4-(3-HYDROXYPR
| Molecular Formula | C25H39N3O9S4 |
|---|---|
| Molecular Weight | 653.16 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 653.1569 |
| Heavy Atoms | 41 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 51723-70-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | KQOHVOVWUMYNBM-UHFFFAOYSA-N |
Product Overview
RefChem:337192 (CAS 51723-70-7), with molecular formula C25H39N3O9S4 and molecular weight 653.16 g/mol. IUPAC: 5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid.
Chemical Property Profile of RefChem:337192
Property Insights of RefChem:337192
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337192. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:337192 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:337192 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337192?
The CAS number of RefChem:337192 is 51723-70-7.
What is the molecular formula of RefChem:337192?
The molecular formula of RefChem:337192 is C25H39N3O9S4.
What is the molecular weight of RefChem:337192?
The molecular weight of RefChem:337192 is 653.16 g/mol.
Where can I buy RefChem:337192?
You can request a quote for RefChem:337192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337192?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.