3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-69-8) is a chemical compound with molecular formula C19H13Cl2N7O4 and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-chlorophenyl)-4-methoxypyrazol-5-yl]-(4-nitrophenyl)diazene
Also Known As: 3-Pyridinebutanoicacid,methyl ester, [5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-(4-nitrophenyl)diazene, 1,3,4-Oxadiazole, 2-(chloromethyl)-5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-, 2-(chloromethyl)-5-[1-(3-chlorophenyl)-4-methoxy-5-[2-(4-nitrophenyl)diazen-1-yl]-1H-pyrazol-3-yl]-1,3,4-oxadiazole, 5-[1-(3-Chlorophenyl)-4-methoxy-5-(4-nitrophenyl)azo-1H-pyrazol-3-yl]-2-chloromethyl-1,3,4-oxadiazole
| Molecular Formula | C19H13Cl2N7O4 |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 5.6467 |
| Topological Polar Surface Area | 133.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.04062 |
| Heavy Atoms | 32 |
| Complexity | 1301.511 |
Chemical Identifiers
| CAS Number | 172701-69-8 |
|---|---|
| SMILES | COC1=C(N(N=C1C2=NN=C(O2)CCl)C3=CC(=CC=C3)Cl)N=NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-69-8), with molecular formula C19H13Cl2N7O4 and molecular weight 473.04 g/mol. IUPAC: [3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-chlorophenyl)-4-methoxypyrazol-5-yl]-(4-nitrophenyl)diazene.
Chemical Property Profile of 3-Pyridinebutanoicacid,methyl ester
Property Insights of 3-Pyridinebutanoicacid,methyl ester
The XLogP value of 5.6467 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.83 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 9 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 172701-69-8.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C19H13Cl2N7O4.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 473.04 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.