KST-1B4820
TL;DR: KST-1B4820 (CAS 52532-01-1) is a chemical compound with molecular formula C28H36N2O7S3 and molecular weight 608.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methyl-4-(3-phenylmethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: KST-1B4820, 8-Benzyloxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 2H2O, Piperazine, 1-(10,11-dihydro-8-(phenylmethoxy)dibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:2), 1-[8-(benzyloxy)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine methanesulfonate(1:2), methanesulfonic acid,1-methyl-4-(3-phenylmethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
| Molecular Formula | C28H36N2O7S3 |
|---|---|
| Molecular Weight | 608.17 g/mol |
| LogP | 4.2694 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 608.16846 |
| Heavy Atoms | 40 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 52532-01-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OCC5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | JETWRALGRUQIOP-UHFFFAOYSA-N |
Product Overview
KST-1B4820 (CAS 52532-01-1), with molecular formula C28H36N2O7S3 and molecular weight 608.17 g/mol. IUPAC: methanesulfonic acid;1-methyl-4-(3-phenylmethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of KST-1B4820
Property Insights of KST-1B4820
The XLogP value of 4.2694 indicates that KST-1B4820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting KST-1B4820 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B4820 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-1B4820?
The CAS number of KST-1B4820 is 52532-01-1.
What is the molecular formula of KST-1B4820?
The molecular formula of KST-1B4820 is C28H36N2O7S3.
What is the molecular weight of KST-1B4820?
The molecular weight of KST-1B4820 is 608.17 g/mol.
Where can I buy KST-1B4820?
You can request a quote for KST-1B4820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4820?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.