N-benzyl-5-chloro-1,3-benzoxazol-2-amine
TL;DR: N-benzyl-5-chloro-1,3-benzoxazol-2-amine (CAS 78749-89-0) is a chemical compound with molecular formula C14H11ClN2O and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-chloro-1,3-benzoxazol-2-amine
Also Known As: N-benzyl-5-chloro-1,3-benzoxazol-2-amine, NIOSH/DM4665400, 2-(Benzylamino)-5-chlorobenzoxazole, 2-Benzylamino-5-chlorobenzoxazole, N-benzyl-5-chloro-benzooxazol-2-amine
| Molecular Formula | C14H11ClN2O |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.056 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 78749-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | PALYRMSPZVOLCS-UHFFFAOYSA-N |
Product Overview
N-benzyl-5-chloro-1,3-benzoxazol-2-amine (CAS 78749-89-0), with molecular formula C14H11ClN2O and molecular weight 258.06 g/mol. IUPAC: N-benzyl-5-chloro-1,3-benzoxazol-2-amine.
Chemical Property Profile of N-benzyl-5-chloro-1,3-benzoxazol-2-amine
Property Insights of N-benzyl-5-chloro-1,3-benzoxazol-2-amine
The XLogP value of 4.6 indicates that N-benzyl-5-chloro-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 38.1 Ų, N-benzyl-5-chloro-1,3-benzoxazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-chloro-1,3-benzoxazol-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 N-benzyl-5-chloro-1,3-benzoxazol-2-amine?
The CAS number of N-benzyl-5-chloro-1,3-benzoxazol-2-amine is 78749-89-0.
What is the molecular formula of N-benzyl-5-chloro-1,3-benzoxazol-2-amine?
The molecular formula of N-benzyl-5-chloro-1,3-benzoxazol-2-amine is C14H11ClN2O.
What is the molecular weight of N-benzyl-5-chloro-1,3-benzoxazol-2-amine?
The molecular weight of N-benzyl-5-chloro-1,3-benzoxazol-2-amine is 258.06 g/mol.
Where can I buy N-benzyl-5-chloro-1,3-benzoxazol-2-amine?
You can request a quote for N-benzyl-5-chloro-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-benzyl-5-chloro-1,3-benzoxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-chloro-1,3-benzoxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.