3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide
TL;DR: 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide (CAS 35128-49-5) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-1,2-oxazole-4-carboxamide
Also Known As: trans-2-Oxa-bicyclo(3.3.0)octan, BAS 00629036, 2H-CYCLOPENTA[B]FURAN,HEXAHYDRO-, TRANS-, 2H-Cyclopenta[b]furan,hexahydro-,trans-(8ci,9ci), 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide
| Molecular Formula | C16H12ClN3O2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0618 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 35128-49-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CN=CC=C3 |
| InChIKey | ZYDFDUCKVZYMRC-UHFFFAOYSA-N |
Product Overview
3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide (CAS 35128-49-5), with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide
Property Insights of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide 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 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide?
The CAS number of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide is 35128-49-5.
What is the molecular formula of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide?
The molecular formula of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide is C16H12ClN3O2.
What is the molecular weight of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide?
The molecular weight of 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide is 313.06 g/mol.
Where can I buy 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide?
You can request a quote for 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-5-methyl-N-3-pyridinyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.