RefChem:1095721
TL;DR: RefChem:1095721 (CAS 31775-15-2) is a chemical compound with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: Piperazine, 1-(10,11-dihydro-5-oxodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate, Dibenzo(b,f)thiepin-5-oxide, 10,11-dihydro-10-(4-methylpiperazino)-, hydrogen maleate, Piperazine, 1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, S-oxide, maleate, (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, RefChem:1095721
| Molecular Formula | C23H26N2O5S |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 2.4097 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.15625 |
| Heavy Atoms | 31 |
| Complexity | 982.9663 |
Chemical Identifiers
| CAS Number | 31775-15-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1095721 (CAS 31775-15-2), with molecular formula C23H26N2O5S and molecular weight 442.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:1095721
Property Insights of RefChem:1095721
The XLogP value of 2.4097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095721. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095721. Following Lipinski's Rule of Five, RefChem:1095721 has 2 hydrogen bond donor(s) and 5 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:1095721?
The CAS number of RefChem:1095721 is 31775-15-2.
What is the molecular formula of RefChem:1095721?
The molecular formula of RefChem:1095721 is C23H26N2O5S.
What is the molecular weight of RefChem:1095721?
The molecular weight of RefChem:1095721 is 442.16 g/mol.
Where can I buy RefChem:1095721?
You can request a quote for RefChem:1095721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.