RefChem:1095731
TL;DR: RefChem:1095731 (CAS 19728-89-3) is a chemical compound with molecular formula C24H28N2O6S2 and molecular weight 504.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: Piperazine, 1-(10,11-dihydro-8-methylsulfonyldibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), (Z)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (2Z)-2-butenedioate (1:1), Piperazine, 1-[10,11-dihydro-8-(methylsulfonyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (2Z)-2-butenedioate (1:1), Piperazine, 1-[10,11-dihydro-8-(methylsulfonyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C24H28N2O6S2 |
|---|---|
| Molecular Weight | 504.14 g/mol |
| LogP | 2.7977 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.1389 |
| Heavy Atoms | 34 |
| Complexity | 1171.6993 |
Chemical Identifiers
| CAS Number | 19728-89-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1095731 (CAS 19728-89-3), with molecular formula C24H28N2O6S2 and molecular weight 504.14 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095731
Property Insights of RefChem:1095731
The XLogP value of 2.7977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095731. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095731. Following Lipinski's Rule of Five, RefChem:1095731 has 2 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:1095731?
The CAS number of RefChem:1095731 is 19728-89-3.
What is the molecular formula of RefChem:1095731?
The molecular formula of RefChem:1095731 is C24H28N2O6S2.
What is the molecular weight of RefChem:1095731?
The molecular weight of RefChem:1095731 is 504.14 g/mol.
Where can I buy RefChem:1095731?
You can request a quote for RefChem:1095731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.