Oxymetothepin dimaleate
TL;DR: Oxymetothepin dimaleate (CAS 29599-85-7) is a chemical compound with molecular formula C30H36N2O10S and molecular weight 616.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: Oxymetothepin dimaleate, 1-Piperazinepropanol, 4-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, RefChem:1056662
| Molecular Formula | C30H36N2O10S |
|---|---|
| Molecular Weight | 616.21 g/mol |
| LogP | 2.8672 |
| Topological Polar Surface Area | 185.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 616.20905 |
| Heavy Atoms | 43 |
| Complexity | 1239.5969 |
Chemical Identifiers
| CAS Number | 29599-85-7 |
|---|---|
| SMILES | COC1=CC2=C(SC3=CC=CC=C3CC2N4CCN(CC4)CCCO)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Oxymetothepin dimaleate (CAS 29599-85-7), with molecular formula C30H36N2O10S and molecular weight 616.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of Oxymetothepin dimaleate
Property Insights of Oxymetothepin dimaleate
The XLogP value of 2.8672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxymetothepin dimaleate. The TPSA of 185.14 Ų indicates high polarity, suggesting Oxymetothepin dimaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxymetothepin dimaleate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxymetothepin dimaleate?
The CAS number of Oxymetothepin dimaleate is 29599-85-7.
What is the molecular formula of Oxymetothepin dimaleate?
The molecular formula of Oxymetothepin dimaleate is C30H36N2O10S.
What is the molecular weight of Oxymetothepin dimaleate?
The molecular weight of Oxymetothepin dimaleate is 616.21 g/mol.
Where can I buy Oxymetothepin dimaleate?
You can request a quote for Oxymetothepin dimaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxymetothepin dimaleate?
Yes, KEHONG BIO provides custom synthesis services for Oxymetothepin dimaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.