A3807/0161605
TL;DR: A3807/0161605 (CAS 727370-91-4) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate
Also Known As: A3807/0161605, methyl [(4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate, (Z)-methyl 2-(4-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl ((4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate, METHYL 2-(4-{(Z)-1-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]ETHYLIDENE}-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-3-YL)ACETATE
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.619 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1161.2612 |
Chemical Identifiers
| CAS Number | 727370-91-4 |
|---|---|
| SMILES | CC(=NCC1=CC2=C(C=C1)OCO2)C3=C(NN(C3=O)C4=CC=CC=C4)CC(=O)OC |
Product Overview
A3807/0161605 (CAS 727370-91-4), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A3807/0161605
Property Insights of A3807/0161605
The XLogP value of 2.619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3807/0161605. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3807/0161605. Following Lipinski's Rule of Five, A3807/0161605 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 A3807/0161605?
The CAS number of A3807/0161605 is 727370-91-4.
What is the molecular formula of A3807/0161605?
The molecular formula of A3807/0161605 is C22H21N3O5.
What is the molecular weight of A3807/0161605?
The molecular weight of A3807/0161605 is 407.15 g/mol.
Where can I buy A3807/0161605?
You can request a quote for A3807/0161605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3807/0161605?
Yes, KEHONG BIO provides custom synthesis services for A3807/0161605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.