6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine
TL;DR: 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine (CAS 50851-04-2) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methylbutoxy)-1,3-benzothiazol-2-amine
Also Known As: 6-(3-methylbutoxy)-1,3-benzothiazol-2-amine, 6-(3-methylbutoxy)benzothiazol-2-amine
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.3034 |
| Topological Polar Surface Area | 48.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 478.82355 |
Chemical Identifiers
| CAS Number | 50851-04-2 |
|---|---|
| SMILES | CC(C)CCOC1=CC2=C(C=C1)N=C(S2)N |
Product Overview
6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine (CAS 50851-04-2), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 6-(3-methylbutoxy)-1,3-benzothiazol-2-amine.
Chemical Property Profile of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine
Property Insights of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine
The XLogP value of 3.3034 indicates that 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.14 Ų, 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine has 1 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 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine?
The CAS number of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine is 50851-04-2.
What is the molecular formula of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine?
The molecular formula of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine is C12H16N2OS.
What is the molecular weight of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine?
The molecular weight of 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine is 236.10 g/mol.
Where can I buy 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine?
You can request a quote for 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Methylbutoxy)-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.