4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine
TL;DR: 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine (CAS 79932-21-1) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Also Known As: 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine, 2-Amino-4,5,6,7-tetrahydro-6-phenylbenzothiazole, 4,5,6,7-tetrahydro-6-phenyl-2-Benzothiazolamine, 6-Phenyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamine, BAS 00996290
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 79932-21-1 |
|---|---|
| SMILES | C1CC2=C(CC1C3=CC=CC=C3)SC(=N2)N |
| InChIKey | ULKFNJBNISYXTB-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine (CAS 79932-21-1), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
Chemical Property Profile of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine
Property Insights of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine
The XLogP value of 3.1 indicates that 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine has 1 hydrogen bond donor(s) and 3 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-6-phenyl-2-benzothiazolamine?
The CAS number of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine is 79932-21-1.
What is the molecular formula of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine?
The molecular formula of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine is C13H14N2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine?
The molecular weight of 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine is 230.09 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine?
You can request a quote for 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine 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-6-phenyl-2-benzothiazolamine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-6-phenyl-2-benzothiazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.