1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate
TL;DR: 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate (CAS 58722-65-9) is a chemical compound with molecular formula C21H29IN2O6S3 and molecular weight 628.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate, C19-H21-I-N2-S.2C-H4-O3-S.1/2H2-O, Piperazine, 1-(10,11-dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1), 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(2-iodo-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)
| Molecular Formula | C21H29IN2O6S3 |
|---|---|
| Molecular Weight | 628.02 g/mol |
| LogP | 3.295 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 628.02325 |
| Heavy Atoms | 33 |
| Complexity | 1104.34 |
Chemical Identifiers
| CAS Number | 58722-65-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)I)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate (CAS 58722-65-9), with molecular formula C21H29IN2O6S3 and molecular weight 628.02 g/mol. IUPAC: 1-(3-iodo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate
Property Insights of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate
The XLogP value of 3.295 indicates that 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate. Following Lipinski's Rule of Five, 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate 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-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate?
The CAS number of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate is 58722-65-9.
What is the molecular formula of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate?
The molecular formula of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate is C21H29IN2O6S3.
What is the molecular weight of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate?
The molecular weight of 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate is 628.02 g/mol.
Where can I buy 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate?
You can request a quote for 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(10,11-Dihydro-2-iododibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.