RefChem:1095718
TL;DR: RefChem:1095718 (CAS 77795-57-4) is a chemical compound with molecular formula C28H28F4N2O8S and molecular weight 628.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[9-fluoro-3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
Also Known As: Piperazine, 1-(10,11-dihydro-3-fluoro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-[9-fluoro-3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine, RefChem:1095718
| Molecular Formula | C28H28F4N2O8S |
|---|---|
| Molecular Weight | 628.15 g/mol |
| LogP | 4.2639 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 628.15027 |
| Heavy Atoms | 43 |
| Complexity | 1323.3021 |
Chemical Identifiers
| CAS Number | 77795-57-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SC4=C(C2)C=CC(=C4)F)C=CC(=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095718 (CAS 77795-57-4), with molecular formula C28H28F4N2O8S and molecular weight 628.15 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[9-fluoro-3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine.
Chemical Property Profile of RefChem:1095718
Property Insights of RefChem:1095718
The XLogP value of 4.2639 indicates that RefChem:1095718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095718 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095718 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095718?
The CAS number of RefChem:1095718 is 77795-57-4.
What is the molecular formula of RefChem:1095718?
The molecular formula of RefChem:1095718 is C28H28F4N2O8S.
What is the molecular weight of RefChem:1095718?
The molecular weight of RefChem:1095718 is 628.15 g/mol.
Where can I buy RefChem:1095718?
You can request a quote for RefChem:1095718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095718?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.