RefChem:314930
TL;DR: RefChem:314930 (CAS 58721-93-0) is a chemical compound with molecular formula C23H33N3O7S3 and molecular weight 559.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide
Also Known As: 2-Acetamido-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(methanesulfonate), Acetamide, N-(10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate, methanesulfonic acid; N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide, N-[10-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]ethanimidic acid--methanesulfonic acid (1/2)
| Molecular Formula | C23H33N3O7S3 |
|---|---|
| Molecular Weight | 559.15 g/mol |
| LogP | 2.6488 |
| Topological Polar Surface Area | 144.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 559.1481 |
| Heavy Atoms | 36 |
| Complexity | 1213.4636 |
Chemical Identifiers
| CAS Number | 58721-93-0 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
RefChem:314930 (CAS 58721-93-0), with molecular formula C23H33N3O7S3 and molecular weight 559.15 g/mol. IUPAC: methanesulfonic acid;N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide.
Chemical Property Profile of RefChem:314930
Property Insights of RefChem:314930
The XLogP value of 2.6488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314930. The TPSA of 144.32 Ų indicates high polarity, suggesting RefChem:314930 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:314930 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:314930?
The CAS number of RefChem:314930 is 58721-93-0.
What is the molecular formula of RefChem:314930?
The molecular formula of RefChem:314930 is C23H33N3O7S3.
What is the molecular weight of RefChem:314930?
The molecular weight of RefChem:314930 is 559.15 g/mol.
Where can I buy RefChem:314930?
You can request a quote for RefChem:314930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314930?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.