ChemDiv2_004217
TL;DR: ChemDiv2_004217 (CAS 683778-97-4) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: ChemDiv2_004217, IDI1_002932, AB00673553-01, F1168-0153, allyl 7-methyl-2,4-dioxo-5-phenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.6238 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 969.80597 |
Chemical Identifiers
| CAS Number | 683778-97-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)NC(=O)NC2=O)C3=CC=CC=C3)C(=O)OCC=C |
Product Overview
ChemDiv2_004217 (CAS 683778-97-4), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv2_004217
Property Insights of ChemDiv2_004217
The XLogP value of 1.6238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004217. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004217. Following Lipinski's Rule of Five, ChemDiv2_004217 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 ChemDiv2_004217?
The CAS number of ChemDiv2_004217 is 683778-97-4.
What is the molecular formula of ChemDiv2_004217?
The molecular formula of ChemDiv2_004217 is C18H17N3O4.
What is the molecular weight of ChemDiv2_004217?
The molecular weight of ChemDiv2_004217 is 339.12 g/mol.
Where can I buy ChemDiv2_004217?
You can request a quote for ChemDiv2_004217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004217?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.