3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-63-2) is a chemical compound with molecular formula C26H20ClN9O6S2 and molecular weight 653.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
Also Known As: 3-Pyridinebutanoicacid,methyl ester, N-[4-[[5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide, Acetamide, N-(4-(((5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)-, Acetamide,N-[4-[[[5-[1-(3-chlorophenyl)-4-methoxy-5-[2-(4-nitrophenyl)diazenyl]-1H-pyrazol-3-yl]-1,3,4-thiadiazol-2-yl]amino]sulfonyl]phenyl]-
| Molecular Formula | C26H20ClN9O6S2 |
|---|---|
| Molecular Weight | 653.07 g/mol |
| LogP | 6.1356 |
| Topological Polar Surface Area | 195.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 653.06665 |
| Heavy Atoms | 44 |
| Complexity | 1993.1119 |
Chemical Identifiers
| CAS Number | 172701-63-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=NN(C(=C3OC)N=NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)Cl |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-63-2), with molecular formula C26H20ClN9O6S2 and molecular weight 653.07 g/mol. IUPAC: N-[4-[[5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide.
Chemical Property Profile of 3-Pyridinebutanoicacid,methyl ester
Property Insights of 3-Pyridinebutanoicacid,methyl ester
The XLogP value of 6.1356 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.96 Ų indicates high polarity, suggesting 3-Pyridinebutanoicacid,methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pyridinebutanoicacid,methyl ester has 2 hydrogen bond donor(s) and 12 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 172701-63-2.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C26H20ClN9O6S2.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 653.07 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.