Abacavir 5'-monophosphate
TL;DR: Abacavir 5'-monophosphate (CAS 136470-77-4) is a chemical compound with molecular formula C14H19N6O4P and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl dihydrogen phosphate
Also Known As: abacavir 5'-phosphate, abacavir 5'-monophosphate, abacavir phosphate, Abacavir MP, abacavir monophosphate
| Molecular Formula | C14H19N6O4P |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12054 |
| Heavy Atoms | 25 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 136470-77-4 |
|---|---|
| SMILES | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)COP(=O)(O)O |
| InChIKey | YQBOXVWMECPEJS-SCZZXKLOSA-N |
Product Overview
Abacavir 5'-monophosphate (CAS 136470-77-4), with molecular formula C14H19N6O4P and molecular weight 366.12 g/mol. IUPAC: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl dihydrogen phosphate.
Chemical Property Profile of Abacavir 5'-monophosphate
Property Insights of Abacavir 5'-monophosphate
The XLogP value of -0.2 indicates that Abacavir 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting Abacavir 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abacavir 5'-monophosphate has 4 hydrogen bond donor(s) and 9 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 Abacavir 5'-monophosphate?
The CAS number of Abacavir 5'-monophosphate is 136470-77-4.
What is the molecular formula of Abacavir 5'-monophosphate?
The molecular formula of Abacavir 5'-monophosphate is C14H19N6O4P.
What is the molecular weight of Abacavir 5'-monophosphate?
The molecular weight of Abacavir 5'-monophosphate is 366.12 g/mol.
Where can I buy Abacavir 5'-monophosphate?
You can request a quote for Abacavir 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abacavir 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Abacavir 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.