4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
TL;DR: 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine (CAS 104617-86-9) is a chemical compound with molecular formula C10H17N3S and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Also Known As: pramipexole, Dexpramipexole, (+/-)-Pramipexole, Pramipexole Base, ()-Pramipexole
| Molecular Formula | C10H17N3S |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.11432 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 104617-86-9 |
|---|---|
| SMILES | CCCNC1CCC2=C(C1)SC(=N2)N |
| InChIKey | FASDKYOPVNHBLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine (CAS 104617-86-9), with molecular formula C10H17N3S and molecular weight 211.11 g/mol. IUPAC: 6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
Chemical Property Profile of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
Property Insights of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine has 2 hydrogen bond donor(s) and 4 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 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine?
The CAS number of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine is 104617-86-9.
What is the molecular formula of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine?
The molecular formula of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine is C10H17N3S.
What is the molecular weight of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine?
The molecular weight of 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine is 211.11 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine?
You can request a quote for 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.