RefChem:1095717
TL;DR: RefChem:1095717 (CAS 58913-14-7) is a chemical compound with molecular formula C24H27FN2O4S2 and molecular weight 490.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 3-Fluoro-10-(4-methylpiperazino)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-3-fluoro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095717
| Molecular Formula | C24H27FN2O4S2 |
|---|---|
| Molecular Weight | 490.14 g/mol |
| LogP | 4.2552 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.13962 |
| Heavy Atoms | 33 |
| Complexity | 1023.11945 |
Chemical Identifiers
| CAS Number | 58913-14-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095717 (CAS 58913-14-7), with molecular formula C24H27FN2O4S2 and molecular weight 490.14 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095717
Property Insights of RefChem:1095717
The XLogP value of 4.2552 indicates that RefChem:1095717 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:1095717. Following Lipinski's Rule of Five, RefChem:1095717 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:1095717?
The CAS number of RefChem:1095717 is 58913-14-7.
What is the molecular formula of RefChem:1095717?
The molecular formula of RefChem:1095717 is C24H27FN2O4S2.
What is the molecular weight of RefChem:1095717?
The molecular weight of RefChem:1095717 is 490.14 g/mol.
Where can I buy RefChem:1095717?
You can request a quote for RefChem:1095717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095717?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.