4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole
TL;DR: 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole (CAS 692287-59-5) is a chemical compound with molecular formula C8H7ClN2O and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methyl-5-pyrrol-1-yl-1,2-oxazole
Also Known As: 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole, 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)isoxazole, 4-chloro-3-methyl-5-pyrrol-1-yl-1,2-oxazole, 4-chloro-3-methyl-5-pyrrol-1-yl-isoxazole
| Molecular Formula | C8H7ClN2O |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 2.42712 |
| Topological Polar Surface Area | 30.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.02469 |
| Heavy Atoms | 12 |
| Complexity | 377.67325 |
Chemical Identifiers
| CAS Number | 692287-59-5 |
|---|---|
| SMILES | CC1=NOC(=C1Cl)N2C=CC=C2 |
Product Overview
4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole (CAS 692287-59-5), with molecular formula C8H7ClN2O and molecular weight 182.02 g/mol. IUPAC: 4-chloro-3-methyl-5-pyrrol-1-yl-1,2-oxazole.
Chemical Property Profile of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole
Property Insights of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole
The XLogP value of 2.42712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole. With a topological polar surface area (TPSA) of 30.96 Ų, 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole has 0 hydrogen bond donor(s) and 2 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 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole?
The CAS number of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole is 692287-59-5.
What is the molecular formula of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole?
The molecular formula of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole is C8H7ClN2O.
What is the molecular weight of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole?
The molecular weight of 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole is 182.02 g/mol.
Where can I buy 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole?
You can request a quote for 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-methyl-5-(1H-pyrrol-1-yl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.