4-Bromo-6-methyl-1,3-benzothiazol-2-amine
TL;DR: 4-Bromo-6-methyl-1,3-benzothiazol-2-amine (CAS 76996-16-2) is a chemical compound with molecular formula C8H7BrN2S and molecular weight 241.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-methyl-1,3-benzothiazol-2-amine
Also Known As: 4-bromo-6-methyl-1,3-benzothiazol-2-amine, 2-Amino-4-bromo-6-methylbenzothiazole, 4-Bromo-6-methylbenzo[d]thiazol-2-amine, 2-Benzothiazolamine,4-bromo-6-methyl-, 4-bromo-6-methyl-benzothiazol-2-amine
| Molecular Formula | C8H7BrN2S |
|---|---|
| Molecular Weight | 241.95 g/mol |
| LogP | 2.94942 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.95132 |
| Heavy Atoms | 12 |
| Complexity | 435.79562 |
Chemical Identifiers
| CAS Number | 76996-16-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)Br)N=C(S2)N |
Product Overview
4-Bromo-6-methyl-1,3-benzothiazol-2-amine (CAS 76996-16-2), with molecular formula C8H7BrN2S and molecular weight 241.95 g/mol. IUPAC: 4-bromo-6-methyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine
Property Insights of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine
The XLogP value of 2.94942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-6-methyl-1,3-benzothiazol-2-amine. With a topological polar surface area (TPSA) of 38.91 Ų, 4-Bromo-6-methyl-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-6-methyl-1,3-benzothiazol-2-amine 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-Bromo-6-methyl-1,3-benzothiazol-2-amine?
The CAS number of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine is 76996-16-2.
What is the molecular formula of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine?
The molecular formula of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine is C8H7BrN2S.
What is the molecular weight of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine?
The molecular weight of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine is 241.95 g/mol.
Where can I buy 4-Bromo-6-methyl-1,3-benzothiazol-2-amine?
You can request a quote for 4-Bromo-6-methyl-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 4-Bromo-6-methyl-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-6-methyl-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.