RefChem:1049153
TL;DR: RefChem:1049153 (CAS 43004-02-0) is a chemical compound with molecular formula C26H29N3O8S and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine
Also Known As: (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2), 6-(4-Methylpiperazino)-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate, 5,6-Dihydro-6-(4-methyl-1-piperazinyl)(1)benzothiepino(2,3-b)pyridine dimaleate, (1)BENZOTHIEPINO(2,3-b)PYRIDINE, 5,6-DIHYDRO-6-(4-METHYL-1-PIPERAZINYL)-, (Z)-2-, (Z)-but-2-enedioic acid; 6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine
| Molecular Formula | C26H29N3O8S |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 2.501 |
| Topological Polar Surface Area | 168.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.16754 |
| Heavy Atoms | 38 |
| Complexity | 1126.5206 |
Chemical Identifiers
| CAS Number | 43004-02-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3SC4=C(C2)C=CC=N4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1049153 (CAS 43004-02-0), with molecular formula C26H29N3O8S and molecular weight 543.17 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);6-(4-methylpiperazin-1-yl)-5,6-dihydro-[1]benzothiepino[2,3-b]pyridine.
Chemical Property Profile of RefChem:1049153
Property Insights of RefChem:1049153
The XLogP value of 2.501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049153. The TPSA of 168.57 Ų indicates high polarity, suggesting RefChem:1049153 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1049153 has 4 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:1049153?
The CAS number of RefChem:1049153 is 43004-02-0.
What is the molecular formula of RefChem:1049153?
The molecular formula of RefChem:1049153 is C26H29N3O8S.
What is the molecular weight of RefChem:1049153?
The molecular weight of RefChem:1049153 is 543.17 g/mol.
Where can I buy RefChem:1049153?
You can request a quote for RefChem:1049153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049153?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.