1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)
TL;DR: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) (CAS 74667-80-4) is a chemical compound with molecular formula C24H30N2O8S2 and molecular weight 538.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;oxalic acid
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1), 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; oxalic acid, Oxalic acid--11-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(methanesulfonyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1), RefChem:234055
| Molecular Formula | C24H30N2O8S2 |
|---|---|
| Molecular Weight | 538.14 g/mol |
| LogP | 1.0096 |
| Topological Polar Surface Area | 152.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.14435 |
| Heavy Atoms | 36 |
| Complexity | 1228.4276 |
Chemical Identifiers
| CAS Number | 74667-80-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCN(CC4)CCCO.C(=O)(C(=O)O)O |
Product Overview
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) (CAS 74667-80-4), with molecular formula C24H30N2O8S2 and molecular weight 538.14 g/mol. IUPAC: 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;oxalic acid.
Chemical Property Profile of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)
Property Insights of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)
The XLogP value of 1.0096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1). The TPSA of 152.52 Ų indicates high polarity, suggesting 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) 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 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)?
The CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) is 74667-80-4.
What is the molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)?
The molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) is C24H30N2O8S2.
What is the molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)?
The molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) is 538.14 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)?
You can request a quote for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide,ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.