RefChem:337190
TL;DR: RefChem:337190 (CAS 85195-85-3) is a chemical compound with molecular formula C22H30Cl2FN3O3S2 and molecular weight 537.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride
Also Known As: Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1), 2-Fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-8-sulfonamide dihydrochloride, DIBENZO(b,f)THIEPIN-2-SULFONAMIDE, 10,11-DIHYDRO-7-FLUORO-11-(4-(2-HYDROXYETHYL), 7-Fluoro-11-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-10,11-dihydrodibenzo[b,f]thiepine-2-sulfonamide--hydrogen chloride (1/2), 9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide dihydrochloride
| Molecular Formula | C22H30Cl2FN3O3S2 |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 3.28 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.10895 |
| Heavy Atoms | 33 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 85195-85-3 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F.Cl.Cl |
| InChIKey | ZCYQHPCYZKJAFM-UHFFFAOYSA-N |
Product Overview
RefChem:337190 (CAS 85195-85-3), with molecular formula C22H30Cl2FN3O3S2 and molecular weight 537.11 g/mol. IUPAC: 9-fluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;dihydrochloride.
Chemical Property Profile of RefChem:337190
Property Insights of RefChem:337190
The XLogP value of 3.28 indicates that RefChem:337190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337190. Following Lipinski's Rule of Five, RefChem:337190 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337190?
The CAS number of RefChem:337190 is 85195-85-3.
What is the molecular formula of RefChem:337190?
The molecular formula of RefChem:337190 is C22H30Cl2FN3O3S2.
What is the molecular weight of RefChem:337190?
The molecular weight of RefChem:337190 is 537.11 g/mol.
Where can I buy RefChem:337190?
You can request a quote for RefChem:337190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337190?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.