7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA
TL;DR: 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA (CAS 127945-95-3) is a chemical compound with molecular formula C12H17N5O3S and molecular weight 311.10522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA, 4-amino-2-methyl-pyrimidine-5-carbonitrile, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2,4-dihydroxybutyl)-6-(methylthio)-, (S)-, 4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((S)-2,4-dihydroxybutyl)pyrrolo-(2,3-d)pyrimidine, 4-amino-7-[(2S)-2,4-dihydroxybutyl]-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
Technical Specifications
| Molecular Formula | C12H17N5O3S |
| Molecular Weight | 311.10522 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.10522 Da |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
| SMILES | CSC1=C(C2=C(N=CN=C2N1C[C@H](CCO)O)N)C(=O)N |
| InChIKey | XLYCXJBVTVJBDO-LURJTMIESA-N |
Chemical Property Profile of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA
Property Insights of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA
The XLogP value of -1.0 indicates that 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA?
The CAS number of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA is 127945-95-3.
What is the molecular formula of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA?
The molecular formula of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA is C12H17N5O3S.
What is the molecular weight of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA?
The molecular weight of 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA is 311.10522 g/mol.
Where can I buy 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA?
You can request a quote for 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA?
Yes, CoreyChem provides custom synthesis services for 7-NH2CO-8-MeS-9-(2,4-diOHBu)-7-deazaA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.