RefChem:1083360
TL;DR: RefChem:1083360 (CAS 155444-11-4) is a chemical compound with molecular formula C25H30N2O7S and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;6-methyl-11-(2-piperidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Also Known As: Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperidinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 6-methyl-11-(2-piperidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide, RefChem:1083360
| Molecular Formula | C25H30N2O7S |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 3.1288 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.17737 |
| Heavy Atoms | 35 |
| Complexity | 1157.8428 |
Chemical Identifiers
| CAS Number | 155444-11-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)OCCN4CCCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1083360 (CAS 155444-11-4), with molecular formula C25H30N2O7S and molecular weight 502.18 g/mol. IUPAC: (E)-but-2-enedioic acid;6-methyl-11-(2-piperidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide.
Chemical Property Profile of RefChem:1083360
Property Insights of RefChem:1083360
The XLogP value of 3.1288 indicates that RefChem:1083360 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083360. Following Lipinski's Rule of Five, RefChem:1083360 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083360?
The CAS number of RefChem:1083360 is 155444-11-4.
What is the molecular formula of RefChem:1083360?
The molecular formula of RefChem:1083360 is C25H30N2O7S.
What is the molecular weight of RefChem:1083360?
The molecular weight of RefChem:1083360 is 502.18 g/mol.
Where can I buy RefChem:1083360?
You can request a quote for RefChem:1083360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083360?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.