Oxymethothepin butyrate di(hydrogen maleate)
TL;DR: Oxymethothepin butyrate di(hydrogen maleate) (CAS 34182-89-3) is a chemical compound with molecular formula C34H42N2O11S and molecular weight 686.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate
Also Known As: Oxymethothepin butyrate di(hydrogen maleate), 8-Methoxy-10-(4-(3-butyryloxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate, Butanoic acid, 3-(4-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate, RefChem:1094098
| Molecular Formula | C34H42N2O11S |
|---|---|
| Molecular Weight | 686.25 g/mol |
| LogP | 4.2182 |
| Topological Polar Surface Area | 191.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 686.2509 |
| Heavy Atoms | 48 |
| Complexity | 1386.3126 |
Chemical Identifiers
| CAS Number | 34182-89-3 |
|---|---|
| SMILES | CCCC(=O)OCCCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)OC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Oxymethothepin butyrate di(hydrogen maleate) (CAS 34182-89-3), with molecular formula C34H42N2O11S and molecular weight 686.25 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate.
Chemical Property Profile of Oxymethothepin butyrate di(hydrogen maleate)
Property Insights of Oxymethothepin butyrate di(hydrogen maleate)
The XLogP value of 4.2182 indicates that Oxymethothepin butyrate di(hydrogen maleate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.21 Ų indicates high polarity, suggesting Oxymethothepin butyrate di(hydrogen maleate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxymethothepin butyrate di(hydrogen maleate) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxymethothepin butyrate di(hydrogen maleate)?
The CAS number of Oxymethothepin butyrate di(hydrogen maleate) is 34182-89-3.
What is the molecular formula of Oxymethothepin butyrate di(hydrogen maleate)?
The molecular formula of Oxymethothepin butyrate di(hydrogen maleate) is C34H42N2O11S.
What is the molecular weight of Oxymethothepin butyrate di(hydrogen maleate)?
The molecular weight of Oxymethothepin butyrate di(hydrogen maleate) is 686.25 g/mol.
Where can I buy Oxymethothepin butyrate di(hydrogen maleate)?
You can request a quote for Oxymethothepin butyrate di(hydrogen maleate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxymethothepin butyrate di(hydrogen maleate)?
Yes, KEHONG BIO provides custom synthesis services for Oxymethothepin butyrate di(hydrogen maleate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.