5-25-14-00116 (Beilstein Handbook Reference)
TL;DR: 5-25-14-00116 (Beilstein Handbook Reference) (CAS 66913-55-1) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoate
Also Known As: 5-25-14-00116 (Beilstein Handbook Reference), Benzoic acid, 6-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2,3-dimethoxy-, methyl ester, methyl 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoate, BRN 0946363
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.03882 |
| Topological Polar Surface Area | 84.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 1159.7515 |
Chemical Identifiers
| CAS Number | 66913-55-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)OC |
Product Overview
5-25-14-00116 (Beilstein Handbook Reference) (CAS 66913-55-1), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: methyl 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2,3-dimethoxybenzoate.
Chemical Property Profile of 5-25-14-00116 (Beilstein Handbook Reference)
Property Insights of 5-25-14-00116 (Beilstein Handbook Reference)
The XLogP value of 3.03882 indicates that 5-25-14-00116 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-14-00116 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-14-00116 (Beilstein Handbook Reference) has 0 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 5-25-14-00116 (Beilstein Handbook Reference)?
The CAS number of 5-25-14-00116 (Beilstein Handbook Reference) is 66913-55-1.
What is the molecular formula of 5-25-14-00116 (Beilstein Handbook Reference)?
The molecular formula of 5-25-14-00116 (Beilstein Handbook Reference) is C22H23N3O5.
What is the molecular weight of 5-25-14-00116 (Beilstein Handbook Reference)?
The molecular weight of 5-25-14-00116 (Beilstein Handbook Reference) is 409.16 g/mol.
Where can I buy 5-25-14-00116 (Beilstein Handbook Reference)?
You can request a quote for 5-25-14-00116 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-14-00116 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-14-00116 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.