ChemDiv1_006344
TL;DR: ChemDiv1_006344 (CAS 340227-76-1) 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.
methyl 4-[3-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: ChemDiv1_006344, methyl 4-[3-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate, (Z)-methyl 4-(3-((1-(benzo[d][1,3]dioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 4-(3-{(Z)-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, METHYL 4-(3-{[(5Z)-1-(2H-1,3-BENZODIOXOL-5-YL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOATE
| Molecular Formula | C26H21N3O7 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 3.27584 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.13794 |
| Heavy Atoms | 36 |
| Complexity | 1467.3885 |
Chemical Identifiers
| CAS Number | 340227-76-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv1_006344 (CAS 340227-76-1), with molecular formula C26H21N3O7 and molecular weight 487.14 g/mol. IUPAC: methyl 4-[3-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of ChemDiv1_006344
Property Insights of ChemDiv1_006344
The XLogP value of 3.27584 indicates that ChemDiv1_006344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006344. Following Lipinski's Rule of Five, ChemDiv1_006344 has 1 hydrogen bond donor(s) and 7 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_006344?
The CAS number of ChemDiv1_006344 is 340227-76-1.
What is the molecular formula of ChemDiv1_006344?
The molecular formula of ChemDiv1_006344 is C26H21N3O7.
What is the molecular weight of ChemDiv1_006344?
The molecular weight of ChemDiv1_006344 is 487.14 g/mol.
Where can I buy ChemDiv1_006344?
You can request a quote for ChemDiv1_006344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006344?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.