RefChem:314931
TL;DR: RefChem:314931 (CAS 19029-70-0) 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-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide
Also Known As: 8-Acetamido-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O, Acetamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, methanesulfonate, hydrate (1:2:1), n-[11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]acetamide methanesulfonate(1:2), ACETAMIDE,N-(10,11-DIHYDRO-11-(4-METHYL-(PIPERAZIN-1-YL))DIBENZO[B,F]THIEPIN-2-YL)-,METHANESULFONATE,HYDRATE (1:2:1), Acetamide,N-(10,11-dihydro-11-(4-methyl-(piperazin-1-yl))dibenzo[b,f]thiepin-2-yl)-,methanesulfonate,hydrate(1:2:1)
| Molecular Formula | C23H33N3O7S3 |
|---|---|
| Molecular Weight | 559.15 g/mol |
| LogP | 2.6488 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 559.1481 |
| Heavy Atoms | 36 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 19029-70-0 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | DIYUOZREAZXKTP-UHFFFAOYSA-N |
Product Overview
RefChem:314931 (CAS 19029-70-0), with molecular formula C23H33N3O7S3 and molecular weight 559.15 g/mol. IUPAC: methanesulfonic acid;N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide.
Chemical Property Profile of RefChem:314931
Property Insights of RefChem:314931
The XLogP value of 2.6488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314931. The TPSA of 186.0 Ų indicates high polarity, suggesting RefChem:314931 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:314931 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:314931?
The CAS number of RefChem:314931 is 19029-70-0.
What is the molecular formula of RefChem:314931?
The molecular formula of RefChem:314931 is C23H33N3O7S3.
What is the molecular weight of RefChem:314931?
The molecular weight of RefChem:314931 is 559.15 g/mol.
Where can I buy RefChem:314931?
You can request a quote for RefChem:314931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314931?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.