RefChem:1056678
TL;DR: RefChem:1056678 (CAS 41931-76-4) is a chemical compound with molecular formula C26H30N2O6S and molecular weight 498.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-methoxybenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 4-(8-Methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate, 1-Piperazinepropanol, 4-(8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), 8-Methoxy-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate, (E)-but-2-enedioic acid; 3-[4-(3-methoxybenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, RefChem:1056678
| Molecular Formula | C26H30N2O6S |
|---|---|
| Molecular Weight | 498.18 g/mol |
| LogP | 3.3697 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.18246 |
| Heavy Atoms | 35 |
| Complexity | 1076.9996 |
Chemical Identifiers
| CAS Number | 41931-76-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)CCCO.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056678 (CAS 41931-76-4), with molecular formula C26H30N2O6S and molecular weight 498.18 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-methoxybenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056678
Property Insights of RefChem:1056678
The XLogP value of 3.3697 indicates that RefChem:1056678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056678. Following Lipinski's Rule of Five, RefChem:1056678 has 3 hydrogen bond donor(s) and 7 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:1056678?
The CAS number of RefChem:1056678 is 41931-76-4.
What is the molecular formula of RefChem:1056678?
The molecular formula of RefChem:1056678 is C26H30N2O6S.
What is the molecular weight of RefChem:1056678?
The molecular weight of RefChem:1056678 is 498.18 g/mol.
Where can I buy RefChem:1056678?
You can request a quote for RefChem:1056678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056678?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.