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N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester
TL;DR: N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester (CAS 343374-50-5) is a chemical compound with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl N-phenylcarbamate
Also Known As: [5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl N-phenylcarbamate, [5-(2-chlorophenyl)-3-isoxazolyl]methyl N-phenylcarbamate, N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester, [5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylN-phenylcarbamate, REGID_for_CID_1481087
| Molecular Formula | C17H13ClN2O3 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 4.7437 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06146 |
| Heavy Atoms | 23 |
| Complexity | 802.36285 |
Chemical Identifiers
| CAS Number | 343374-50-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC2=NOC(=C2)C3=CC=CC=C3Cl |
Product Overview
N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester (CAS 343374-50-5), with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol. IUPAC: [5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl N-phenylcarbamate.
Chemical Property Profile of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester
Property Insights of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester
The XLogP value of 4.7437 indicates that N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester. Following Lipinski's Rule of Five, N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester 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 N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester?
The CAS number of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester is 343374-50-5.
What is the molecular formula of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester?
The molecular formula of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester is C17H13ClN2O3.
What is the molecular weight of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester?
The molecular weight of N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester is 328.06 g/mol.
Where can I buy N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester?
You can request a quote for N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.