RefChem:1095941
TL;DR: RefChem:1095941 (CAS 19939-38-9) is a chemical compound with molecular formula C23H25ClN2O5S and molecular weight 476.12 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-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, (Z)-2-butenedioate (1:1), 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S-oxide maleate, (E)-but-2-enedioic acid;3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-meth yl-, S-oxide, (Z)-2-butenedio
| Molecular Formula | C23H25ClN2O5S |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 3.0631 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.11728 |
| Heavy Atoms | 32 |
| Complexity | 1034.4323 |
Chemical Identifiers
| CAS Number | 19939-38-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095941 (CAS 19939-38-9), with molecular formula C23H25ClN2O5S and molecular weight 476.12 g/mol. IUPAC: (E)-but-2-enedioic acid;3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:1095941
Property Insights of RefChem:1095941
The XLogP value of 3.0631 indicates that RefChem:1095941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095941. Following Lipinski's Rule of Five, RefChem:1095941 has 2 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:1095941?
The CAS number of RefChem:1095941 is 19939-38-9.
What is the molecular formula of RefChem:1095941?
The molecular formula of RefChem:1095941 is C23H25ClN2O5S.
What is the molecular weight of RefChem:1095941?
The molecular weight of RefChem:1095941 is 476.12 g/mol.
Where can I buy RefChem:1095941?
You can request a quote for RefChem:1095941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095941?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.