(5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate
TL;DR: (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate (CAS 104029-97-2) is a chemical compound with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] N-methylcarbamate
Also Known As: KST-1A0619, (5-chloro-1,3-benzoxazol-2-yl)(2-methylphenyl)methyl methylcarbamate, (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate, [(5-chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] N-methylcarbamate, 2-Benzoxazolemethanol,5-chloro-a-(2-methylphenyl)-,methylcarbamate (ester) (9CI)
| Molecular Formula | C17H15ClN2O3 |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.07712 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 104029-97-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=NC3=C(O2)C=CC(=C3)Cl)OC(=O)NC |
| InChIKey | BGXBYKQZNCVMII-UHFFFAOYSA-N |
Product Overview
(5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate (CAS 104029-97-2), with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol. IUPAC: [(5-chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] N-methylcarbamate.
Chemical Property Profile of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate
Property Insights of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate
The XLogP value of 4.0 indicates that (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate. Following Lipinski's Rule of Five, (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate 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 (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate?
The CAS number of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate is 104029-97-2.
What is the molecular formula of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate?
The molecular formula of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate is C17H15ClN2O3.
What is the molecular weight of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate?
The molecular weight of (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate is 330.08 g/mol.
Where can I buy (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate?
You can request a quote for (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.