RefChem:1095945
TL;DR: RefChem:1095945 (CAS 61150-35-4) is a chemical compound with molecular formula C25H27ClN2O6S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chloro-2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 8-Chloro-3,7-dimethoxy-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate, Piperazine, 1-(8-chloro-3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095945
| Molecular Formula | C25H27ClN2O6S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 4.2791 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.1278 |
| Heavy Atoms | 35 |
| Complexity | 1142.8864 |
Chemical Identifiers
| CAS Number | 61150-35-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C(C=C3)OC)SC4=CC(=C(C=C24)Cl)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095945 (CAS 61150-35-4), with molecular formula C25H27ClN2O6S and molecular weight 518.13 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095945
Property Insights of RefChem:1095945
The XLogP value of 4.2791 indicates that RefChem:1095945 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:1095945. Following Lipinski's Rule of Five, RefChem:1095945 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:1095945?
The CAS number of RefChem:1095945 is 61150-35-4.
What is the molecular formula of RefChem:1095945?
The molecular formula of RefChem:1095945 is C25H27ClN2O6S.
What is the molecular weight of RefChem:1095945?
The molecular weight of RefChem:1095945 is 518.13 g/mol.
Where can I buy RefChem:1095945?
You can request a quote for RefChem:1095945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.