RefChem:1095915
TL;DR: RefChem:1095915 (CAS 69231-73-8) is a chemical compound with molecular formula C23H25ClN2O6S and molecular weight 492.11 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-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate, Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:1), 1-(8-Chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)piperazine S-oxide maleate, (E)-but-2-enedioic acid; 3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, RefChem:1095915
| Molecular Formula | C23H25ClN2O6S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 2.7295 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.11218 |
| Heavy Atoms | 33 |
| Complexity | 1068.6165 |
Chemical Identifiers
| CAS Number | 69231-73-8 |
|---|---|
| SMILES | COC1=CC2=C(CC(C3=C(S2=O)C=CC(=C3)Cl)N4CCNCC4)C=C1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095915 (CAS 69231-73-8), with molecular formula C23H25ClN2O6S and molecular weight 492.11 g/mol. IUPAC: (E)-but-2-enedioic acid;3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:1095915
Property Insights of RefChem:1095915
The XLogP value of 2.7295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095915. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095915. Following Lipinski's Rule of Five, RefChem:1095915 has 3 hydrogen bond donor(s) and 6 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:1095915?
The CAS number of RefChem:1095915 is 69231-73-8.
What is the molecular formula of RefChem:1095915?
The molecular formula of RefChem:1095915 is C23H25ClN2O6S.
What is the molecular weight of RefChem:1095915?
The molecular weight of RefChem:1095915 is 492.11 g/mol.
Where can I buy RefChem:1095915?
You can request a quote for RefChem:1095915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095915?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.