1H-pyrazole, 4-(2-chloroethyl)-1-methyl-
TL;DR: 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- (CAS 109389-25-5) is a chemical compound with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
Also Known As: 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one, 1-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one, 2(1H)-Pyrimidinone, 1-(2-deoxy-b-D-erythro-pentofuranosyl)-5-methyl-4-(1H-1,2,4-triazol-1-yl), 1-(Beta-D-2-Deoxyribofuranosyl)-4-(1,2,4-triazol-1-yl)-5-methylpyrimidin-2-one
| Molecular Formula | C12H15N5O4 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1124 |
| Heavy Atoms | 21 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 109389-25-5 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)CO)O |
| InChIKey | JPVLKWJVGSRGSQ-IVZWLZJFSA-N |
Product Overview
1H-pyrazole, 4-(2-chloroethyl)-1-methyl- (CAS 109389-25-5), with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one.
Chemical Property Profile of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-
Property Insights of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-
The XLogP value of -0.5 indicates that 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-. Following Lipinski's Rule of Five, 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- has 2 hydrogen bond donor(s) and 6 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 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-?
The CAS number of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- is 109389-25-5.
What is the molecular formula of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-?
The molecular formula of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- is C12H15N5O4.
What is the molecular weight of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-?
The molecular weight of 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- is 293.11 g/mol.
Where can I buy 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-?
You can request a quote for 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrazole, 4-(2-chloroethyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrazole, 4-(2-chloroethyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.