3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-58-5) is a chemical compound with molecular formula C20H19ClN8OS and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazol-3-yl]-1,3,4-thiadiazol-2-amine
Also Known As: 3-Pyridinebutanoicacid,methyl ester, 1,3,4-Thiadiazol-2-amine, 5-(1-(3-chlorophenyl)-5-((4-(dimethylamino)phenyl)azo)-4-methoxy-1H-pyrazol-3-yl)-, 5-[1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazol-3-yl]-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine,5-[1-(3-chlorophenyl)-5-[2-[4-(dimethylamino)phenyl]diazenyl]-4-methoxy-1H-pyrazol-3-yl]-, 5-[1-(3-Chlorophenyl)-4-methoxy-5-[4-(dimethylamino)phenyl]azo-1H-pyrazol-3-yl]-2-amino-1,3,4-thiadiazole
| Molecular Formula | C20H19ClN8OS |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 5.1164 |
| Topological Polar Surface Area | 106.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1091 |
| Heavy Atoms | 31 |
| Complexity | 1232.4681 |
Chemical Identifiers
| CAS Number | 172701-58-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=C(C(=NN2C3=CC(=CC=C3)Cl)C4=NN=C(S4)N)OC |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-58-5), with molecular formula C20H19ClN8OS and molecular weight 454.11 g/mol. IUPAC: 5-[1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]diazenyl]-4-methoxypyrazol-3-yl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 3-Pyridinebutanoicacid,methyl ester
Property Insights of 3-Pyridinebutanoicacid,methyl ester
The XLogP value of 5.1164 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.81 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 1 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 172701-58-5.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C20H19ClN8OS.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 454.11 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.