RefChem:1095951
TL;DR: RefChem:1095951 (CAS 54997-72-7) is a chemical compound with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(8-Cyclopropyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate, Piperazine, 1-(8-cyclopropyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, Piperazine, 1-(8-cyclopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), RefChem:1095951
| Molecular Formula | C26H30N2O4S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 4.2716 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.19263 |
| Heavy Atoms | 33 |
| Complexity | 1026.3374 |
Chemical Identifiers
| CAS Number | 54997-72-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C5CC5.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095951 (CAS 54997-72-7), with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095951
Property Insights of RefChem:1095951
The XLogP value of 4.2716 indicates that RefChem:1095951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095951. Following Lipinski's Rule of Five, RefChem:1095951 has 2 hydrogen bond donor(s) and 5 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:1095951?
The CAS number of RefChem:1095951 is 54997-72-7.
What is the molecular formula of RefChem:1095951?
The molecular formula of RefChem:1095951 is C26H30N2O4S.
What is the molecular weight of RefChem:1095951?
The molecular weight of RefChem:1095951 is 466.19 g/mol.
Where can I buy RefChem:1095951?
You can request a quote for RefChem:1095951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095951?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.