RefChem:1084292
TL;DR: RefChem:1084292 (CAS 28810-22-2) is a chemical compound with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine
Also Known As: Ethanamine, 2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N,N-dimethyl-, 5,5-dioxide, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N,N-dimethyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine, RefChem:1084292
| Molecular Formula | C22H26N2O7S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 2.2045 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.14606 |
| Heavy Atoms | 32 |
| Complexity | 1080.9631 |
Chemical Identifiers
| CAS Number | 28810-22-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1084292 (CAS 28810-22-2), with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine.
Chemical Property Profile of RefChem:1084292
Property Insights of RefChem:1084292
The XLogP value of 2.2045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084292. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084292. Following Lipinski's Rule of Five, RefChem:1084292 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084292?
The CAS number of RefChem:1084292 is 28810-22-2.
What is the molecular formula of RefChem:1084292?
The molecular formula of RefChem:1084292 is C22H26N2O7S.
What is the molecular weight of RefChem:1084292?
The molecular weight of RefChem:1084292 is 462.15 g/mol.
Where can I buy RefChem:1084292?
You can request a quote for RefChem:1084292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084292?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.