3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-68-7) is a chemical compound with molecular formula C19H14Cl2N6O2 and molecular weight 428.06 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]-phenyldiazene
Also Known As: 3-Pyridinebutanoicacid,methyl ester, 2-(Chloromethyl)-5-(1-(3-chlorophenyl)-4-methoxy-5-phenylazo)-1H-pyrazol-3-yl-1,3,4-oxadiazole, 1,3,4-Oxadiazole, 2-(chloromethyl)-5-(1-(3-chlorophenyl)-4-methoxy-5-(phenylazo)-1H-pyrazol-3-yl)-, [5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methoxypyrazol-3-yl]-phenyldiazene, [5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-2-(3-chlorophenyl)-4-methox y-pyrazol-3-yl]-phenyl-diazen
| Molecular Formula | C19H14Cl2N6O2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 5.7385 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.05554 |
| Heavy Atoms | 29 |
| Complexity | 1156.733 |
Chemical Identifiers
| CAS Number | 172701-68-7 |
|---|---|
| SMILES | COC1=C(N(N=C1C2=NN=C(O2)CCl)C3=CC(=CC=C3)Cl)N=NC4=CC=CC=C4 |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-68-7), with molecular formula C19H14Cl2N6O2 and molecular weight 428.06 g/mol. IUPAC: [3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-chlorophenyl)-4-methoxypyrazol-5-yl]-phenyldiazene.
Chemical Property Profile of 3-Pyridinebutanoicacid,methyl ester
Property Insights of 3-Pyridinebutanoicacid,methyl ester
The XLogP value of 5.7385 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.69 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 172701-68-7.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C19H14Cl2N6O2.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 428.06 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.