AB00431483-03
TL;DR: AB00431483-03 (CAS 852170-77-5) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00431483-03, 5-((2-(indolin-1-yl)-2-oxoethyl)thio)-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, F0654-0279, 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-7-propyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 1.6611 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1263.9572 |
Chemical Identifiers
| CAS Number | 852170-77-5 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C(=O)N(C(=O)N2C)C |
Product Overview
AB00431483-03 (CAS 852170-77-5), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00431483-03
Property Insights of AB00431483-03
The XLogP value of 1.6611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431483-03. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431483-03. Following Lipinski's Rule of Five, AB00431483-03 has 0 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 AB00431483-03?
The CAS number of AB00431483-03 is 852170-77-5.
What is the molecular formula of AB00431483-03?
The molecular formula of AB00431483-03 is C21H23N5O3S.
What is the molecular weight of AB00431483-03?
The molecular weight of AB00431483-03 is 425.15 g/mol.
Where can I buy AB00431483-03?
You can request a quote for AB00431483-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431483-03?
Yes, KEHONG BIO provides custom synthesis services for AB00431483-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.