C20H24N2OS.3/2CH4O3S.1/2H2O
TL;DR: C20H24N2OS.3/2CH4O3S.1/2H2O (CAS 73129-08-5) is a chemical compound with molecular formula C43H60N4O11S5 and molecular weight 968.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;bis(1-(2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine)
Also Known As: C20H24N2OS.3/2CH4O3S.1/2H2O, 3-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate hydrate, Piperazine, 1-(10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate,hydrate (2:3:1), C20-H24-N2-O-S.3/2C-H4-O3-S.1/2H2-O, Methanesulfonic acid--1-(3-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (3/2)
| Molecular Formula | C43H60N4O11S5 |
|---|---|
| Molecular Weight | 968.29 g/mol |
| LogP | 5.894 |
| Topological Polar Surface Area | 194.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 968.2862 |
| Heavy Atoms | 63 |
| Complexity | 2222.456 |
Chemical Identifiers
| CAS Number | 73129-08-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC=CC=C24.CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
C20H24N2OS.3/2CH4O3S.1/2H2O (CAS 73129-08-5), with molecular formula C43H60N4O11S5 and molecular weight 968.29 g/mol. IUPAC: methanesulfonic acid;bis(1-(2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine).
Chemical Property Profile of C20H24N2OS.3/2CH4O3S.1/2H2O
Property Insights of C20H24N2OS.3/2CH4O3S.1/2H2O
The XLogP value of 5.894 indicates that C20H24N2OS.3/2CH4O3S.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.53 Ų indicates high polarity, suggesting C20H24N2OS.3/2CH4O3S.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H24N2OS.3/2CH4O3S.1/2H2O has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H24N2OS.3/2CH4O3S.1/2H2O?
The CAS number of C20H24N2OS.3/2CH4O3S.1/2H2O is 73129-08-5.
What is the molecular formula of C20H24N2OS.3/2CH4O3S.1/2H2O?
The molecular formula of C20H24N2OS.3/2CH4O3S.1/2H2O is C43H60N4O11S5.
What is the molecular weight of C20H24N2OS.3/2CH4O3S.1/2H2O?
The molecular weight of C20H24N2OS.3/2CH4O3S.1/2H2O is 968.29 g/mol.
Where can I buy C20H24N2OS.3/2CH4O3S.1/2H2O?
You can request a quote for C20H24N2OS.3/2CH4O3S.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H24N2OS.3/2CH4O3S.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H24N2OS.3/2CH4O3S.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.