3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-49-4) is a chemical compound with molecular formula C21H22ClN5O3 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazole-3-carboxylate
Also Known As: 3-Pyridinebutanoicacid,methyl ester, Ethyl 1-(3-chlorophenyl)-5-((4-(dimethylamino)phenyl)azo)-4-methoxy-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 1-(3-chlorophenyl)-5-((4-(dimethylamino)phenyl)azo)-4-methoxy-,ethyl ester, ethyl 1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazole-3-carboxylate, ethyl 1-(3-chlorophenyl)-5-(4-dimethylaminophenyl)diazenyl-4-methoxy-p yrazole-3-carboxylate
| Molecular Formula | C21H22ClN5O3 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.1924 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1411 |
| Heavy Atoms | 30 |
| Complexity | 1061.0038 |
Chemical Identifiers
| CAS Number | 172701-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1OC)N=NC2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)Cl |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-49-4), with molecular formula C21H22ClN5O3 and molecular weight 427.14 g/mol. IUPAC: ethyl 1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazole-3-carboxylate.
Chemical Property Profile of 3-Pyridinebutanoicacid,methyl ester
Property Insights of 3-Pyridinebutanoicacid,methyl ester
The XLogP value of 5.1924 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinebutanoicacid,methyl ester. Following Lipinski's Rule of Five, 3-Pyridinebutanoicacid,methyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinebutanoicacid,methyl ester?
The CAS number of 3-Pyridinebutanoicacid,methyl ester is 172701-49-4.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C21H22ClN5O3.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 427.14 g/mol.
Where can I buy 3-Pyridinebutanoicacid,methyl ester?
You can request a quote for 3-Pyridinebutanoicacid,methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinebutanoicacid,methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinebutanoicacid,methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.