ChemDiv2_006799
TL;DR: ChemDiv2_006799 (CAS 852168-83-3) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
Also Known As: ChemDiv2_006799, IDI1_005514, AB00671132-01, F0654-0972, N-benzyl-2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 2.1113 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 1463.7117 |
Chemical Identifiers
| CAS Number | 852168-83-3 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC(=O)NCC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
ChemDiv2_006799 (CAS 852168-83-3), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: N-benzyl-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv2_006799
Property Insights of ChemDiv2_006799
The XLogP value of 2.1113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006799. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006799. Following Lipinski's Rule of Five, ChemDiv2_006799 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 ChemDiv2_006799?
The CAS number of ChemDiv2_006799 is 852168-83-3.
What is the molecular formula of ChemDiv2_006799?
The molecular formula of ChemDiv2_006799 is C24H23N5O4S.
What is the molecular weight of ChemDiv2_006799?
The molecular weight of ChemDiv2_006799 is 477.15 g/mol.
Where can I buy ChemDiv2_006799?
You can request a quote for ChemDiv2_006799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006799?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.