![3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde structure](/static/products/5148/514801-13-9.webp)
3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
TL;DR: 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde (CAS 514801-13-9) is a chemical compound with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Also Known As: 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde, 3-((4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl)-4-methoxybenzaldehyde, 3-(4-Chloro-3-nitro-pyrazol-1-ylmethyl)-4-methoxy-benzaldehyde, 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde, 3-[(4-chloro-3-nitropyrazolyl)methyl]-4-methoxybenzaldehyde
| Molecular Formula | C12H10ClN3O4 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 2.3141 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.03598 |
| Heavy Atoms | 20 |
| Complexity | 668.7172 |
Chemical Identifiers
| CAS Number | 514801-13-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CN2C=C(C(=N2)[N+](=O)[O-])Cl |
Product Overview
3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde (CAS 514801-13-9), with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol. IUPAC: 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-methoxybenzaldehyde.
Chemical Property Profile of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Property Insights of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
The XLogP value of 2.3141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde. Following Lipinski's Rule of Five, 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde has 0 hydrogen bond donor(s) and 5 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-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The CAS number of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is 514801-13-9.
What is the molecular formula of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The molecular formula of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is C12H10ClN3O4.
What is the molecular weight of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
The molecular weight of 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde is 295.04 g/mol.
Where can I buy 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
You can request a quote for 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.