RefChem:1095860
TL;DR: RefChem:1095860 (CAS 73248-78-9) is a chemical compound with molecular formula C21H23FN2O4S2 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
Also Known As: 8-Fluoro-4-(4-methylpiperazino)-4,5-dihydrothieno(2,3-b)-1-benzothiepin maleate, Piperazine, 1-(4,5-dihydro-8-fluorothieno(2,3-b)(1)benzothiepin-4-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine, RefChem:1095860
| Molecular Formula | C21H23FN2O4S2 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 3.5948 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.10834 |
| Heavy Atoms | 30 |
| Complexity | 922.83765 |
Chemical Identifiers
| CAS Number | 73248-78-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=CS4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095860 (CAS 73248-78-9), with molecular formula C21H23FN2O4S2 and molecular weight 450.11 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095860
Property Insights of RefChem:1095860
The XLogP value of 3.5948 indicates that RefChem:1095860 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:1095860. Following Lipinski's Rule of Five, RefChem:1095860 has 2 hydrogen bond donor(s) and 6 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:1095860?
The CAS number of RefChem:1095860 is 73248-78-9.
What is the molecular formula of RefChem:1095860?
The molecular formula of RefChem:1095860 is C21H23FN2O4S2.
What is the molecular weight of RefChem:1095860?
The molecular weight of RefChem:1095860 is 450.11 g/mol.
Where can I buy RefChem:1095860?
You can request a quote for RefChem:1095860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.