RefChem:1095724
TL;DR: RefChem:1095724 (CAS 43182-92-9) is a chemical compound with molecular formula C32H33N3O9S and molecular weight 635.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: C24H25N3OS.2C4H4O4.1/2H2O, Piperazine, 1-(10,11-dihydro-8-(2-pyridinyloxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1), 8-(2-Pyridyloxy)-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate 1/2H2O, C24-H25-N3-O-S.2C4-H4-O4.1/2H2-O, (E)-but-2-enedioic acid; 1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
| Molecular Formula | C32H33N3O9S |
|---|---|
| Molecular Weight | 635.19 g/mol |
| LogP | 4.2933 |
| Topological Polar Surface Area | 177.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 635.1937 |
| Heavy Atoms | 45 |
| Complexity | 1471.8469 |
Chemical Identifiers
| CAS Number | 43182-92-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)OC5=CC=CC=N5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095724 (CAS 43182-92-9), with molecular formula C32H33N3O9S and molecular weight 635.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1095724
Property Insights of RefChem:1095724
The XLogP value of 4.2933 indicates that RefChem:1095724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.8 Ų indicates high polarity, suggesting RefChem:1095724 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095724 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095724?
The CAS number of RefChem:1095724 is 43182-92-9.
What is the molecular formula of RefChem:1095724?
The molecular formula of RefChem:1095724 is C32H33N3O9S.
What is the molecular weight of RefChem:1095724?
The molecular weight of RefChem:1095724 is 635.19 g/mol.
Where can I buy RefChem:1095724?
You can request a quote for RefChem:1095724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095724?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.