CDS1_003693
TL;DR: CDS1_003693 (CAS 6194-72-5) is a chemical compound with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: CDS1_003693, BIM-0011061.P001, (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{[2,5-Dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H20N4O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.46396 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.15353 |
| Heavy Atoms | 30 |
| Complexity | 1208.441 |
Chemical Identifiers
| CAS Number | 6194-72-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CN=CC=C4)C)/C(=O)NC2=O |
Product Overview
CDS1_003693 (CAS 6194-72-5), with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of CDS1_003693
Property Insights of CDS1_003693
The XLogP value of 3.46396 indicates that CDS1_003693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003693. Following Lipinski's Rule of Five, CDS1_003693 has 1 hydrogen bond donor(s) and 4 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 CDS1_003693?
The CAS number of CDS1_003693 is 6194-72-5.
What is the molecular formula of CDS1_003693?
The molecular formula of CDS1_003693 is C23H20N4O3.
What is the molecular weight of CDS1_003693?
The molecular weight of CDS1_003693 is 400.15 g/mol.
Where can I buy CDS1_003693?
You can request a quote for CDS1_003693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003693?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.