AB00431538-09
TL;DR: AB00431538-09 (CAS 863002-47-5) is a chemical compound with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
Also Known As: AB00431538-09, F0654-0331, 2-({6,8-dimethyl-5,7-dioxo-2-propyl-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide, 2-((6,8-dimethyl-5,7-dioxo-2-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C18H21N5O4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 0.9812 |
| Topological Polar Surface Area | 112.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.13144 |
| Heavy Atoms | 28 |
| Complexity | 1117.6869 |
Chemical Identifiers
| CAS Number | 863002-47-5 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=CO3)C(=O)N(C(=O)N2C)C |
Product Overview
AB00431538-09 (CAS 863002-47-5), with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00431538-09
Property Insights of AB00431538-09
The XLogP value of 0.9812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431538-09. The TPSA of 112.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431538-09. Following Lipinski's Rule of Five, AB00431538-09 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 AB00431538-09?
The CAS number of AB00431538-09 is 863002-47-5.
What is the molecular formula of AB00431538-09?
The molecular formula of AB00431538-09 is C18H21N5O4S.
What is the molecular weight of AB00431538-09?
The molecular weight of AB00431538-09 is 403.13 g/mol.
Where can I buy AB00431538-09?
You can request a quote for AB00431538-09 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431538-09?
Yes, KEHONG BIO provides custom synthesis services for AB00431538-09 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.