RefChem:1057317
TL;DR: RefChem:1057317 (CAS 61325-74-4) is a chemical compound with molecular formula C22H24F2N4O4S and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Also Known As: 6,8-Difluoro-2-ethyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine maleate, 10H-Thieno(2,3-b)(1,5)benzodiazepine, 6,8-difluoro-2-ethyl-4-(4-methyl-1-piperazinyl)-, maleate, (E)-but-2-enedioic acid; 2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine, RefChem:1057317
| Molecular Formula | C22H24F2N4O4S |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 3.6832 |
| Topological Polar Surface Area | 105.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.14862 |
| Heavy Atoms | 33 |
| Complexity | 1092.0557 |
Chemical Identifiers
| CAS Number | 61325-74-4 |
|---|---|
| SMILES | CCC1=CC2=C(S1)NC3=C(C(=CC(=C3)F)F)N=C2N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057317 (CAS 61325-74-4), with molecular formula C22H24F2N4O4S and molecular weight 478.15 g/mol. IUPAC: (E)-but-2-enedioic acid;2-ethyl-6,8-difluoro-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.
Chemical Property Profile of RefChem:1057317
Property Insights of RefChem:1057317
The XLogP value of 3.6832 indicates that RefChem:1057317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.47 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057317. Following Lipinski's Rule of Five, RefChem:1057317 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:1057317?
The CAS number of RefChem:1057317 is 61325-74-4.
What is the molecular formula of RefChem:1057317?
The molecular formula of RefChem:1057317 is C22H24F2N4O4S.
What is the molecular weight of RefChem:1057317?
The molecular weight of RefChem:1057317 is 478.15 g/mol.
Where can I buy RefChem:1057317?
You can request a quote for RefChem:1057317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.