ChemDiv3_002091
TL;DR: ChemDiv3_002091 (CAS 5307-94-8) is a chemical compound with molecular formula C18H24N4O3 and molecular weight 344.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
Also Known As: ChemDiv3_002091, IDI1_021057, AB00079846-01, A2475/0105128, BRD-K15875208-001-01-1
| Molecular Formula | C18H24N4O3 |
|---|---|
| Molecular Weight | 344.18 g/mol |
| LogP | 1.30052 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.18484 |
| Heavy Atoms | 25 |
| Complexity | 863.3554 |
Chemical Identifiers
| CAS Number | 5307-94-8 |
|---|---|
| SMILES | CCN(CC)CCN=CC1=C(N(C(=O)NC1=O)C2=CC=CC=C2C)O |
Product Overview
ChemDiv3_002091 (CAS 5307-94-8), with molecular formula C18H24N4O3 and molecular weight 344.18 g/mol. IUPAC: 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_002091
Property Insights of ChemDiv3_002091
The XLogP value of 1.30052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002091. The TPSA of 90.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002091. Following Lipinski's Rule of Five, ChemDiv3_002091 has 2 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 ChemDiv3_002091?
The CAS number of ChemDiv3_002091 is 5307-94-8.
What is the molecular formula of ChemDiv3_002091?
The molecular formula of ChemDiv3_002091 is C18H24N4O3.
What is the molecular weight of ChemDiv3_002091?
The molecular weight of ChemDiv3_002091 is 344.18 g/mol.
Where can I buy ChemDiv3_002091?
You can request a quote for ChemDiv3_002091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002091?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.