ChemDiv3_010064
TL;DR: ChemDiv3_010064 (CAS 852171-63-2) is a chemical compound with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
Also Known As: ChemDiv3_010064, IDI1_027974, AB00671111-01, 2-((2-(4-methoxyphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, F0654-0925
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 0.2802 |
| Topological Polar Surface Area | 122.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 1151.1731 |
Chemical Identifiers
| CAS Number | 852171-63-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)OC)SCC(=O)N)C(=O)N(C1=O)C |
Product Overview
ChemDiv3_010064 (CAS 852171-63-2), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: 2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv3_010064
Property Insights of ChemDiv3_010064
The XLogP value of 0.2802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010064. The TPSA of 122.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010064. Following Lipinski's Rule of Five, ChemDiv3_010064 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 ChemDiv3_010064?
The CAS number of ChemDiv3_010064 is 852171-63-2.
What is the molecular formula of ChemDiv3_010064?
The molecular formula of ChemDiv3_010064 is C17H17N5O4S.
What is the molecular weight of ChemDiv3_010064?
The molecular weight of ChemDiv3_010064 is 387.10 g/mol.
Where can I buy ChemDiv3_010064?
You can request a quote for ChemDiv3_010064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010064?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.