4-((1,3-Benzothiazol-2-yl)methyl)aniline
TL;DR: 4-((1,3-Benzothiazol-2-yl)methyl)aniline (CAS 37859-28-2) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylmethyl)aniline
Also Known As: 4-(1,3-benzothiazol-2-ylmethyl)aniline, Triethylorthoacrylate, 4-(Benzo[d]thiazol-2-ylmethyl)aniline, 4-[(1,3-benzothiazol-2-yl)methyl]aniline, 2-(4-aminobenzyl)benzothiazole
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.4693 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 607.6359 |
Chemical Identifiers
| CAS Number | 37859-28-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)N |
Product Overview
4-((1,3-Benzothiazol-2-yl)methyl)aniline (CAS 37859-28-2), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylmethyl)aniline.
Chemical Property Profile of 4-((1,3-Benzothiazol-2-yl)methyl)aniline
Property Insights of 4-((1,3-Benzothiazol-2-yl)methyl)aniline
The XLogP value of 3.4693 indicates that 4-((1,3-Benzothiazol-2-yl)methyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, 4-((1,3-Benzothiazol-2-yl)methyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1,3-Benzothiazol-2-yl)methyl)aniline 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-((1,3-Benzothiazol-2-yl)methyl)aniline?
The CAS number of 4-((1,3-Benzothiazol-2-yl)methyl)aniline is 37859-28-2.
What is the molecular formula of 4-((1,3-Benzothiazol-2-yl)methyl)aniline?
The molecular formula of 4-((1,3-Benzothiazol-2-yl)methyl)aniline is C14H12N2S.
What is the molecular weight of 4-((1,3-Benzothiazol-2-yl)methyl)aniline?
The molecular weight of 4-((1,3-Benzothiazol-2-yl)methyl)aniline is 240.07 g/mol.
Where can I buy 4-((1,3-Benzothiazol-2-yl)methyl)aniline?
You can request a quote for 4-((1,3-Benzothiazol-2-yl)methyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1,3-Benzothiazol-2-yl)methyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,3-Benzothiazol-2-yl)methyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.