1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate
TL;DR: 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate (CAS 86499-12-9) is a chemical compound with molecular formula C24H34N2O4S3 and molecular weight 510.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol
Also Known As: 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate, 1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol, methanesulfonic acid,1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol, Methanesulfonic acid--1-{4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}butan-2-ol (1/1), methanesulfonic acid; 1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol
| Molecular Formula | C24H34N2O4S3 |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | 4.0494 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.16806 |
| Heavy Atoms | 33 |
| Complexity | 1016.11945 |
Chemical Identifiers
| CAS Number | 86499-12-9 |
|---|---|
| SMILES | CCC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)O.CS(=O)(=O)O |
Product Overview
1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate (CAS 86499-12-9), with molecular formula C24H34N2O4S3 and molecular weight 510.17 g/mol. IUPAC: methanesulfonic acid;1-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol.
Chemical Property Profile of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate
Property Insights of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate
The XLogP value of 4.0494 indicates that 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate. Following Lipinski's Rule of Five, 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate?
The CAS number of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate is 86499-12-9.
What is the molecular formula of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate?
The molecular formula of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate is C24H34N2O4S3.
What is the molecular weight of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate?
The molecular weight of 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate is 510.17 g/mol.
Where can I buy 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate?
You can request a quote for 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-alpha-ethyl-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.