Peradithiepin
TL;DR: Peradithiepin (CAS 16233-60-6) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
Also Known As: Peradithiepin, Peradithiepine, 4-(4-Methylpiperazino)-4,5-dihydrobenzo(b)thieno(3,2-f)thiepine maleate, Piperazine, 1-(4,5-dihydrothieno(2,3-b)(1)benzothiepin-4-yl)-4-methyl-, maleate (1:1), 1-(4,5-Dihydrothieno(2,3-b)(1)benzothiepin-4-yl)-4-methylpiperazine (Z)-2-butenedioate (1:1)
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 3.4557 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 872.31116 |
Chemical Identifiers
| CAS Number | 16233-60-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CS4.C(=C/C(=O)O)\C(=O)O |
Product Overview
Peradithiepin (CAS 16233-60-6), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine.
Chemical Property Profile of Peradithiepin
Property Insights of Peradithiepin
The XLogP value of 3.4557 indicates that Peradithiepin 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 Peradithiepin. Following Lipinski's Rule of Five, Peradithiepin 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 Peradithiepin?
The CAS number of Peradithiepin is 16233-60-6.
What is the molecular formula of Peradithiepin?
The molecular formula of Peradithiepin is C21H24N2O4S2.
What is the molecular weight of Peradithiepin?
The molecular weight of Peradithiepin is 432.12 g/mol.
Where can I buy Peradithiepin?
You can request a quote for Peradithiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peradithiepin?
Yes, KEHONG BIO provides custom synthesis services for Peradithiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.