ChemDiv1_007021
TL;DR: ChemDiv1_007021 (CAS 347386-96-3) is a chemical compound with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,5-dimethyl-3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid
Also Known As: ChemDiv1_007021, 5-[2,5-dimethyl-3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid, 5-[2,5-Dimethyl-3-[[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]-1H-pyrrol-1-yl]-1,3-benzenedicarboxylic acid
| Molecular Formula | C26H21N3O7 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 3.46536 |
| Topological Polar Surface Area | 146.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.13794 |
| Heavy Atoms | 36 |
| Complexity | 1464.1708 |
Chemical Identifiers
| CAS Number | 347386-96-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C)C(=O)NC2=O |
Product Overview
ChemDiv1_007021 (CAS 347386-96-3), with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol. IUPAC: 5-[2,5-dimethyl-3-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of ChemDiv1_007021
Property Insights of ChemDiv1_007021
The XLogP value of 3.46536 indicates that ChemDiv1_007021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.01 Ų indicates high polarity, suggesting ChemDiv1_007021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_007021 has 3 hydrogen bond donor(s) and 5 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 ChemDiv1_007021?
The CAS number of ChemDiv1_007021 is 347386-96-3.
What is the molecular formula of ChemDiv1_007021?
The molecular formula of ChemDiv1_007021 is C26H21N3O7.
What is the molecular weight of ChemDiv1_007021?
The molecular weight of ChemDiv1_007021 is 487.14 g/mol.
Where can I buy ChemDiv1_007021?
You can request a quote for ChemDiv1_007021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007021?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.