Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate
TL;DR: Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate (CAS 51724-32-4) is a chemical compound with molecular formula C22H33N3O8S4 and molecular weight 595.12 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]methanesulfonamide
Also Known As: Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate, Methanesulfonic acid--N-[11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]methanesulfonamide (2/1), methanesulfonic acid; N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide, RefChem:352210
| Molecular Formula | C22H33N3O8S4 |
|---|---|
| Molecular Weight | 595.12 g/mol |
| LogP | 2.0619 |
| Topological Polar Surface Area | 161.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 595.11505 |
| Heavy Atoms | 37 |
| Complexity | 1342.7542 |
Chemical Identifiers
| CAS Number | 51724-32-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)NS(=O)(=O)C.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate (CAS 51724-32-4), with molecular formula C22H33N3O8S4 and molecular weight 595.12 g/mol. IUPAC: methanesulfonic acid;N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide.
Chemical Property Profile of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate
Property Insights of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate
The XLogP value of 2.0619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate. The TPSA of 161.39 Ų indicates high polarity, suggesting Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate?
The CAS number of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate is 51724-32-4.
What is the molecular formula of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate?
The molecular formula of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate is C22H33N3O8S4.
What is the molecular weight of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate?
The molecular weight of Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate is 595.12 g/mol.
Where can I buy Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate?
You can request a quote for Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.