RefChem:1095722
TL;DR: RefChem:1095722 (CAS 80709-64-4) is a chemical compound with molecular formula C25H30N2O6S and molecular weight 486.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 1-(10,11-Dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate hydrate, Piperazine, 1-(10,11-dihydro-7,8-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (1:1:1), 3,7-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate monohydrate, (E)-but-2-enedioic acid; 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, 1-(7,8-Dimethoxy-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine; compound with (Z)-but-2-enedioic acid
| Molecular Formula | C25H30N2O6S |
|---|---|
| Molecular Weight | 486.18 g/mol |
| LogP | 3.4114 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.18246 |
| Heavy Atoms | 34 |
| Complexity | 1033.6965 |
Chemical Identifiers
| CAS Number | 80709-64-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC(=C(C=C24)OC)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095722 (CAS 80709-64-4), with molecular formula C25H30N2O6S and molecular weight 486.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095722
Property Insights of RefChem:1095722
The XLogP value of 3.4114 indicates that RefChem:1095722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095722. Following Lipinski's Rule of Five, RefChem:1095722 has 2 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:1095722?
The CAS number of RefChem:1095722 is 80709-64-4.
What is the molecular formula of RefChem:1095722?
The molecular formula of RefChem:1095722 is C25H30N2O6S.
What is the molecular weight of RefChem:1095722?
The molecular weight of RefChem:1095722 is 486.18 g/mol.
Where can I buy RefChem:1095722?
You can request a quote for RefChem:1095722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.