1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
TL;DR: 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate (CAS 56057-00-2) is a chemical compound with molecular formula C26H38N2O4S3 and molecular weight 538.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-[4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propan-1-ol
Also Known As: 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate, Methanesulfonic acid--3-(4-{8-[(2-methylpropyl)sulfanyl]-10,11-dihydrodibenzo[b,f]thiepin-10-yl}piperazin-1-yl)propan-1-ol (1/1), methanesulfonic acid; 3-[4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propan-1-ol, RefChem:234049
| Molecular Formula | C26H38N2O4S3 |
|---|---|
| Molecular Weight | 538.20 g/mol |
| LogP | 4.6871 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.19934 |
| Heavy Atoms | 35 |
| Complexity | 1046.3125 |
Chemical Identifiers
| CAS Number | 56057-00-2 |
|---|---|
| SMILES | CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O |
Product Overview
1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate (CAS 56057-00-2), with molecular formula C26H38N2O4S3 and molecular weight 538.20 g/mol. IUPAC: methanesulfonic acid;3-[4-[3-(2-methylpropylsulfanyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propan-1-ol.
Chemical Property Profile of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
Property Insights of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
The XLogP value of 4.6871 indicates that 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, 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-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, 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-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate?
The CAS number of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate is 56057-00-2.
What is the molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate?
The molecular formula of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate is C26H38N2O4S3.
What is the molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate?
The molecular weight of 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate is 538.20 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate?
You can request a quote for 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate 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-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.