KST-1B4805
TL;DR: KST-1B4805 (CAS 52406-23-2) is a chemical compound with molecular formula C23H34N2O7S3 and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: KST-1B4805, 8-Ethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate, 1-(8-ethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine methanesulfonate(1:2), 1-(10,11-Dihydro-8-ethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimethanesulfonate, Piperazine, 1-(10,11-dihydro-8-ethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
| Molecular Formula | C23H34N2O7S3 |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 3.0891 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 546.15283 |
| Heavy Atoms | 35 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 52406-23-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | JOZHLWWBDMJDSB-UHFFFAOYSA-N |
Product Overview
KST-1B4805 (CAS 52406-23-2), with molecular formula C23H34N2O7S3 and molecular weight 546.15 g/mol. IUPAC: 1-(3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of KST-1B4805
Property Insights of KST-1B4805
The XLogP value of 3.0891 indicates that KST-1B4805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting KST-1B4805 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B4805 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B4805?
The CAS number of KST-1B4805 is 52406-23-2.
What is the molecular formula of KST-1B4805?
The molecular formula of KST-1B4805 is C23H34N2O7S3.
What is the molecular weight of KST-1B4805?
The molecular weight of KST-1B4805 is 546.15 g/mol.
Where can I buy KST-1B4805?
You can request a quote for KST-1B4805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4805?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.