F0654-0714
TL;DR: F0654-0714 (CAS 863003-08-1) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
Also Known As: F0654-0714, N-benzyl-2-((2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide, N-benzyl-2-({2-cyclopropyl-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)acetamide, N-benzyl-2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.3131 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1198.6927 |
Chemical Identifiers
| CAS Number | 863003-08-1 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)NCC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
F0654-0714 (CAS 863003-08-1), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-benzyl-2-(7-cyclopropyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide.
Chemical Property Profile of F0654-0714
Property Insights of F0654-0714
The XLogP value of 1.3131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0654-0714. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for F0654-0714. Following Lipinski's Rule of Five, F0654-0714 has 1 hydrogen bond donor(s) and 6 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 F0654-0714?
The CAS number of F0654-0714 is 863003-08-1.
What is the molecular formula of F0654-0714?
The molecular formula of F0654-0714 is C20H21N5O3S.
What is the molecular weight of F0654-0714?
The molecular weight of F0654-0714 is 411.14 g/mol.
Where can I buy F0654-0714?
You can request a quote for F0654-0714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0654-0714?
Yes, KEHONG BIO provides custom synthesis services for F0654-0714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.