N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
TL;DR: N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine (CAS 111931-65-8) is a chemical compound with molecular formula C14H8ClN3OS and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
Also Known As: AE-641/09636021, N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine, 2-Benzoxazolamine, N-(4-chloro-2-benzothiazolyl)- (en), N-(1,3-benzoxazol-2-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)amine
| Molecular Formula | C14H8ClN3OS |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 4.8345 |
| Topological Polar Surface Area | 50.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.00766 |
| Heavy Atoms | 20 |
| Complexity | 881.9732 |
Chemical Identifiers
| CAS Number | 111931-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)NC3=NC4=C(S3)C=CC=C4Cl |
Product Overview
N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine (CAS 111931-65-8), with molecular formula C14H8ClN3OS and molecular weight 301.01 g/mol. IUPAC: N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine.
Chemical Property Profile of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
Property Insights of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
The XLogP value of 4.8345 indicates that N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.95 Ų, N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine has 1 hydrogen bond donor(s) and 5 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 N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The CAS number of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is 111931-65-8.
What is the molecular formula of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The molecular formula of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is C14H8ClN3OS.
What is the molecular weight of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The molecular weight of N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is 301.01 g/mol.
Where can I buy N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
You can request a quote for N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.