AB00431529-05
TL;DR: AB00431529-05 (CAS 896677-40-0) is a chemical compound with molecular formula C19H27N5O4S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: AB00431529-05, F0654-0531, 1,3-dimethyl-5-((2-morpholino-2-oxoethyl)thio)-7-neopentylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C19H27N5O4S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 0.5667 |
| Topological Polar Surface Area | 99.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.17838 |
| Heavy Atoms | 29 |
| Complexity | 1047.7065 |
Chemical Identifiers
| CAS Number | 896677-40-0 |
|---|---|
| SMILES | CC(C)(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCOCC3)C(=O)N(C(=O)N2C)C |
Product Overview
AB00431529-05 (CAS 896677-40-0), with molecular formula C19H27N5O4S and molecular weight 421.18 g/mol. IUPAC: 7-(2,2-dimethylpropyl)-1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of AB00431529-05
Property Insights of AB00431529-05
The XLogP value of 0.5667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431529-05. The TPSA of 99.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431529-05. Following Lipinski's Rule of Five, AB00431529-05 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 AB00431529-05?
The CAS number of AB00431529-05 is 896677-40-0.
What is the molecular formula of AB00431529-05?
The molecular formula of AB00431529-05 is C19H27N5O4S.
What is the molecular weight of AB00431529-05?
The molecular weight of AB00431529-05 is 421.18 g/mol.
Where can I buy AB00431529-05?
You can request a quote for AB00431529-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431529-05?
Yes, KEHONG BIO provides custom synthesis services for AB00431529-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.