RefChem:220629
TL;DR: RefChem:220629 (CAS 489406-54-4) 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 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate, 1,4-Dimethyl 2-[[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]-1,4-benzenedicarboxylate, dimethyl 2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 2-[[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]-, 1,4-dimethyl ester, Dimethyl 2-[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)amino]benzene-1,4-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 | 795.93604 |
Chemical Identifiers
| CAS Number | 489406-54-4 |
|---|---|
| SMILES | CN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
RefChem:220629 (CAS 489406-54-4), with molecular formula C15H14ClN3O5 and molecular weight 351.06 g/mol. IUPAC: dimethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of RefChem:220629
Property Insights of RefChem:220629
The XLogP value of 1.899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:220629. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:220629. Following Lipinski's Rule of Five, RefChem:220629 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 RefChem:220629?
The CAS number of RefChem:220629 is 489406-54-4.
What is the molecular formula of RefChem:220629?
The molecular formula of RefChem:220629 is C15H14ClN3O5.
What is the molecular weight of RefChem:220629?
The molecular weight of RefChem:220629 is 351.06 g/mol.
Where can I buy RefChem:220629?
You can request a quote for RefChem:220629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.