RefChem:1084293
TL;DR: RefChem:1084293 (CAS 155444-07-8) is a chemical compound with molecular formula C21H24N2O7S and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-methyl-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-methyl-, 5,5-dioxide(Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;N-methyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine, (E)-but-2-enedioic acid,N-methyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine, (E)-but-2-enedioic acid; N-methyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine, Ethanamine,2-((6,11-dihydro-6-methyldibenzo(c,f)thiazepin-11-yl)oxy)-N-methyl-,5,5-dioxide(Z)-2-butenedioate (1:1)
| Molecular Formula | C21H24N2O7S |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 1.8623 |
| Topological Polar Surface Area | 133.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.13043 |
| Heavy Atoms | 31 |
| Complexity | 1050.9028 |
Chemical Identifiers
| CAS Number | 155444-07-8 |
|---|---|
| SMILES | CNCCOC1C2=CC=CC=C2N(S(=O)(=O)C3=CC=CC=C13)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1084293 (CAS 155444-07-8), with molecular formula C21H24N2O7S and molecular weight 448.13 g/mol. IUPAC: (E)-but-2-enedioic acid;N-methyl-2-[(6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)oxy]ethanamine.
Chemical Property Profile of RefChem:1084293
Property Insights of RefChem:1084293
The XLogP value of 1.8623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084293. The TPSA of 133.24 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084293. Following Lipinski's Rule of Five, RefChem:1084293 has 3 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:1084293?
The CAS number of RefChem:1084293 is 155444-07-8.
What is the molecular formula of RefChem:1084293?
The molecular formula of RefChem:1084293 is C21H24N2O7S.
What is the molecular weight of RefChem:1084293?
The molecular weight of RefChem:1084293 is 448.13 g/mol.
Where can I buy RefChem:1084293?
You can request a quote for RefChem:1084293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084293?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.