A3807/0161604
TL;DR: A3807/0161604 (CAS 727372-12-5) is a chemical compound with molecular formula C20H26N4O4 and molecular weight 386.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate
Also Known As: A3807/0161604, methyl [(4Z)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate, (Z)-methyl 2-(4-(1-((2-morpholinoethyl)amino)ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl ((4Z)-4-{1-[(2-morpholin-4-ylethyl)amino]ethylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, METHYL 2-(4-{(Z)-1-[(2-MORPHOLINOETHYL)AMINO]ETHYLIDENE}-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-3-YL)ACETATE
| Molecular Formula | C20H26N4O4 |
|---|---|
| Molecular Weight | 386.20 g/mol |
| LogP | 1.0223 |
| Topological Polar Surface Area | 88.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1954 |
| Heavy Atoms | 28 |
| Complexity | 879.3558 |
Chemical Identifiers
| CAS Number | 727372-12-5 |
|---|---|
| SMILES | CC(=NCCN1CCOCC1)C2=C(NN(C2=O)C3=CC=CC=C3)CC(=O)OC |
Product Overview
A3807/0161604 (CAS 727372-12-5), with molecular formula C20H26N4O4 and molecular weight 386.20 g/mol. IUPAC: methyl 2-[4-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A3807/0161604
Property Insights of A3807/0161604
The XLogP value of 1.0223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3807/0161604. The TPSA of 88.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A3807/0161604. Following Lipinski's Rule of Five, A3807/0161604 has 1 hydrogen bond donor(s) and 6 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 A3807/0161604?
The CAS number of A3807/0161604 is 727372-12-5.
What is the molecular formula of A3807/0161604?
The molecular formula of A3807/0161604 is C20H26N4O4.
What is the molecular weight of A3807/0161604?
The molecular weight of A3807/0161604 is 386.20 g/mol.
Where can I buy A3807/0161604?
You can request a quote for A3807/0161604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3807/0161604?
Yes, KEHONG BIO provides custom synthesis services for A3807/0161604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.