![dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate structure](/static/products/4894/489407-43-4.webp)
dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
TL;DR: dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate (CAS 489407-43-4) is a chemical compound with molecular formula C15H14ClN3O5 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate, dimethyl 5-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-(4-chloro-1-methyl-1H-pyrazole-5-carboxamido)isophthalate, dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C15H14ClN3O5 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 1.899 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0622 |
| Heavy Atoms | 24 |
| Complexity | 761.68604 |
Chemical Identifiers
| CAS Number | 489407-43-4 |
|---|---|
| SMILES | CN1C(=C(C=N1)Cl)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate (CAS 489407-43-4), with molecular formula C15H14ClN3O5 and molecular weight 351.06 g/mol. IUPAC: dimethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
Property Insights of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
The XLogP value of 1.899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate has 1 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 dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The CAS number of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is 489407-43-4.
What is the molecular formula of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The molecular formula of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is C15H14ClN3O5.
What is the molecular weight of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The molecular weight of dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is 351.06 g/mol.
Where can I buy dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
You can request a quote for dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.