AB00684829-01
TL;DR: AB00684829-01 (CAS 852170-41-3) 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.
7-ethyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00684829-01, F0654-0221, 7-ethyl-1,3-dimethyl-5-((4-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-ethyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione, 7-ethyl-1,3-dimethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.7901 |
| Topological Polar Surface Area | 112.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 1151.1731 |
Chemical Identifiers
| CAS Number | 852170-41-3 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C |
Product Overview
AB00684829-01 (CAS 852170-41-3), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: 7-ethyl-1,3-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00684829-01
Property Insights of AB00684829-01
The XLogP value of 1.7901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684829-01. The TPSA of 112.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684829-01. Following Lipinski's Rule of Five, AB00684829-01 has 0 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 AB00684829-01?
The CAS number of AB00684829-01 is 852170-41-3.
What is the molecular formula of AB00684829-01?
The molecular formula of AB00684829-01 is C17H17N5O4S.
What is the molecular weight of AB00684829-01?
The molecular weight of AB00684829-01 is 387.10 g/mol.
Where can I buy AB00684829-01?
You can request a quote for AB00684829-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684829-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684829-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.