AB00684148-01
TL;DR: AB00684148-01 (CAS 304685-92-5) is a chemical compound with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate
Also Known As: AB00684148-01, F0307-0491, (E)-diethyl 5-(2-(5-imino-3-methyl-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-{2-[(4E)-5-imino-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(2E)-2-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C21H23N5O4S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 4.90164 |
| Topological Polar Surface Area | 121.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.14706 |
| Heavy Atoms | 31 |
| Complexity | 1134.5942 |
Chemical Identifiers
| CAS Number | 304685-92-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=NC2=C(N(N=C2C)C3=CC=CC=C3)N |
Product Overview
AB00684148-01 (CAS 304685-92-5), with molecular formula C21H23N5O4S and molecular weight 441.15 g/mol. IUPAC: diethyl 5-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of AB00684148-01
Property Insights of AB00684148-01
The XLogP value of 4.90164 indicates that AB00684148-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684148-01. Following Lipinski's Rule of Five, AB00684148-01 has 1 hydrogen bond donor(s) and 9 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 AB00684148-01?
The CAS number of AB00684148-01 is 304685-92-5.
What is the molecular formula of AB00684148-01?
The molecular formula of AB00684148-01 is C21H23N5O4S.
What is the molecular weight of AB00684148-01?
The molecular weight of AB00684148-01 is 441.15 g/mol.
Where can I buy AB00684148-01?
You can request a quote for AB00684148-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684148-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684148-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.