E3040 sulfate
TL;DR: E3040 sulfate (CAS 157192-07-9) is a chemical compound with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl] hydrogen sulfate
Also Known As: E3040 sulfate, E-3040 sulfate, E3040 sulphate, [5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl] hydrogen sulfate, 5,7-Dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate
| Molecular Formula | C16H17N3O4S2 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.06604 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 157192-07-9 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C1OS(=O)(=O)O)C)SC(=N2)NC)CC3=CN=CC=C3 |
| InChIKey | LPZDTQCWCMPFND-UHFFFAOYSA-N |
Product Overview
E3040 sulfate (CAS 157192-07-9), with molecular formula C16H17N3O4S2 and molecular weight 379.07 g/mol. IUPAC: [5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-yl] hydrogen sulfate.
Chemical Property Profile of E3040 sulfate
Property Insights of E3040 sulfate
The XLogP value of 3.3 indicates that E3040 sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for E3040 sulfate. Following Lipinski's Rule of Five, E3040 sulfate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E3040 sulfate?
The CAS number of E3040 sulfate is 157192-07-9.
What is the molecular formula of E3040 sulfate?
The molecular formula of E3040 sulfate is C16H17N3O4S2.
What is the molecular weight of E3040 sulfate?
The molecular weight of E3040 sulfate is 379.07 g/mol.
Where can I buy E3040 sulfate?
You can request a quote for E3040 sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E3040 sulfate?
Yes, KEHONG BIO provides custom synthesis services for E3040 sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.