C32H32N2S2.2CH4O3S.1/2H2O
TL;DR: C32H32N2S2.2CH4O3S.1/2H2O (CAS 121943-15-5) is a chemical compound with molecular formula C34H40N2O6S4 and molecular weight 700.17694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;methanesulfonic acid
Also Known As: C32H32N2S2.2CH4O3S.1/2H2O, Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate, hemihydrate, C32-H32-N2-S2.2C-H4-O3-S.1/2H2-O, 1-benzhydryl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid, Methanesulfonic acid--1-(diphenylmethyl)-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2/1)
Technical Specifications
| Molecular Formula | C34H40N2O6S4 |
| Molecular Weight | 700.17694 g/mol |
| XLogP | 6.5721 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 700.17694 Da |
| Heavy Atoms | 46 |
| Complexity | 742.0 |
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | GKBGOFNOGGHETL-UHFFFAOYSA-N |
Chemical Property Profile of C32H32N2S2.2CH4O3S.1/2H2O
Property Insights of C32H32N2S2.2CH4O3S.1/2H2O
The XLogP value of 6.5721 indicates that C32H32N2S2.2CH4O3S.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting C32H32N2S2.2CH4O3S.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C32H32N2S2.2CH4O3S.1/2H2O has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C32H32N2S2.2CH4O3S.1/2H2O?
The CAS number of C32H32N2S2.2CH4O3S.1/2H2O is 121943-15-5.
What is the molecular formula of C32H32N2S2.2CH4O3S.1/2H2O?
The molecular formula of C32H32N2S2.2CH4O3S.1/2H2O is C34H40N2O6S4.
What is the molecular weight of C32H32N2S2.2CH4O3S.1/2H2O?
The molecular weight of C32H32N2S2.2CH4O3S.1/2H2O is 700.17694 g/mol.
Where can I buy C32H32N2S2.2CH4O3S.1/2H2O?
You can request a quote for C32H32N2S2.2CH4O3S.1/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C32H32N2S2.2CH4O3S.1/2H2O?
Yes, CoreyChem provides custom synthesis services for C32H32N2S2.2CH4O3S.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.