AB00686913-01
TL;DR: AB00686913-01 (CAS 893920-49-5) is a chemical compound with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-methylphenyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00686913-01, F1873-0794, 1,3-dimethyl-7-(2-methylphenyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-(prop-2-yn-1-ylthio)-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-7-(2-methylphenyl)-5-(prop-2-yn-1-ylsulfanyl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 1.72792 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 1138.737 |
Chemical Identifiers
| CAS Number | 893920-49-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC#C)C(=O)N(C(=O)N3C)C |
Product Overview
AB00686913-01 (CAS 893920-49-5), with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylphenyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00686913-01
Property Insights of AB00686913-01
The XLogP value of 1.72792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686913-01. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686913-01. Following Lipinski's Rule of Five, AB00686913-01 has 0 hydrogen bond donor(s) and 5 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 AB00686913-01?
The CAS number of AB00686913-01 is 893920-49-5.
What is the molecular formula of AB00686913-01?
The molecular formula of AB00686913-01 is C18H16N4O2S.
What is the molecular weight of AB00686913-01?
The molecular weight of AB00686913-01 is 352.10 g/mol.
Where can I buy AB00686913-01?
You can request a quote for AB00686913-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686913-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686913-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.