RefChem:1095938
TL;DR: RefChem:1095938 (CAS 34775-51-4) is a chemical compound with molecular formula C28H33ClN2O4S and molecular weight 528.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-cyclohexylpiperazine maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-cyclohexyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine, RefChem:1095938
| Molecular Formula | C28H33ClN2O4S |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 5.7505 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.18494 |
| Heavy Atoms | 36 |
| Complexity | 1078.7073 |
Chemical Identifiers
| CAS Number | 34775-51-4 |
|---|---|
| SMILES | C1CCC(CC1)N2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095938 (CAS 34775-51-4), with molecular formula C28H33ClN2O4S and molecular weight 528.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-cyclohexylpiperazine.
Chemical Property Profile of RefChem:1095938
Property Insights of RefChem:1095938
The XLogP value of 5.7505 indicates that RefChem:1095938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095938. Following Lipinski's Rule of Five, RefChem:1095938 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095938?
The CAS number of RefChem:1095938 is 34775-51-4.
What is the molecular formula of RefChem:1095938?
The molecular formula of RefChem:1095938 is C28H33ClN2O4S.
What is the molecular weight of RefChem:1095938?
The molecular weight of RefChem:1095938 is 528.18 g/mol.
Where can I buy RefChem:1095938?
You can request a quote for RefChem:1095938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095938?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.