RefChem:1095924
TL;DR: RefChem:1095924 (CAS 41931-95-7) is a chemical compound with molecular formula C22H23ClN2O5S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-chloro-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 8-Chloro-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine S-oxide maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-chloro-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H23ClN2O5S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 2.7209 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.10162 |
| Heavy Atoms | 31 |
| Complexity | 1004.7109 |
Chemical Identifiers
| CAS Number | 41931-95-7 |
|---|---|
| SMILES | C1CN(CCN1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095924 (CAS 41931-95-7), with molecular formula C22H23ClN2O5S and molecular weight 462.10 g/mol. IUPAC: (E)-but-2-enedioic acid;3-chloro-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:1095924
Property Insights of RefChem:1095924
The XLogP value of 2.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095924. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095924. Following Lipinski's Rule of Five, RefChem:1095924 has 3 hydrogen bond donor(s) and 5 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:1095924?
The CAS number of RefChem:1095924 is 41931-95-7.
What is the molecular formula of RefChem:1095924?
The molecular formula of RefChem:1095924 is C22H23ClN2O5S.
What is the molecular weight of RefChem:1095924?
The molecular weight of RefChem:1095924 is 462.10 g/mol.
Where can I buy RefChem:1095924?
You can request a quote for RefChem:1095924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095924?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.