3-Pyridinebutanoicacid,methyl ester
TL;DR: 3-Pyridinebutanoicacid,methyl ester (CAS 172701-60-9) is a chemical compound with molecular formula C18H13ClN8O3S and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine
Also Known As: 3-Pyridinebutanoicacid,methyl ester, 5-(1-(3-Chlorophenyl)-4-methoxy-5-(4-nitrophenylazo)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-, 5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, 5-(1-(3-CHLOROPHENYL)-4-METHOXY-5-(4-NITROPHENYLAZO)-1H-PYRAZOL-3-YL)- 1,3,4-THIADIAZOL-2-AMINE
| Molecular Formula | C18H13ClN8O3S |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 4.9586 |
| Topological Polar Surface Area | 146.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.05197 |
| Heavy Atoms | 31 |
| Complexity | 1285.4594 |
Chemical Identifiers
| CAS Number | 172701-60-9 |
|---|---|
| SMILES | COC1=C(N(N=C1C2=NN=C(S2)N)C3=CC(=CC=C3)Cl)N=NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-Pyridinebutanoicacid,methyl ester (CAS 172701-60-9), with molecular formula C18H13ClN8O3S and molecular weight 456.05 g/mol. IUPAC: 5-[1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazol-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 4.9586 indicates that 3-Pyridinebutanoicacid,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.71 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 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 172701-60-9.
What is the molecular formula of 3-Pyridinebutanoicacid,methyl ester?
The molecular formula of 3-Pyridinebutanoicacid,methyl ester is C18H13ClN8O3S.
What is the molecular weight of 3-Pyridinebutanoicacid,methyl ester?
The molecular weight of 3-Pyridinebutanoicacid,methyl ester is 456.05 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.