RefChem:371896
TL;DR: RefChem:371896 (CAS 58722-19-3) is a chemical compound with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide methanesulfonate, Piperazine, 1-(10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, monomethanesulfonate, Methanesulfonic acid--4-methoxy-11-(4-methylpiperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1), methanesulfonic acid; 1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide, RefChem:371896
| Molecular Formula | C21H28N2O5S2 |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 2.2105 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.14395 |
| Heavy Atoms | 30 |
| Complexity | 1009.8068 |
Chemical Identifiers
| CAS Number | 58722-19-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=CC=C4OC.CS(=O)(=O)O |
Product Overview
RefChem:371896 (CAS 58722-19-3), with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol. IUPAC: methanesulfonic acid;1-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
Chemical Property Profile of RefChem:371896
Property Insights of RefChem:371896
The XLogP value of 2.2105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371896. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371896. Following Lipinski's Rule of Five, RefChem:371896 has 1 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:371896?
The CAS number of RefChem:371896 is 58722-19-3.
What is the molecular formula of RefChem:371896?
The molecular formula of RefChem:371896 is C21H28N2O5S2.
What is the molecular weight of RefChem:371896?
The molecular weight of RefChem:371896 is 452.14 g/mol.
Where can I buy RefChem:371896?
You can request a quote for RefChem:371896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.