9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine
TL;DR: 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine (CAS 82989-82-0) is a chemical compound with molecular formula C10H12ClN5O3 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-amino-6-chloropurin-9-yl)methoxy]ethyl acetate
Also Known As: 6-Chloro Acyclovir Acetate, 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine, 2-[(2-amino-6-chloro-9h-purin-9-yl)methoxy]ethyl acetate, 2-[(2-amino-6-chloropurin-9-yl)methoxy]ethyl acetate, J2.160.030J
| Molecular Formula | C10H12ClN5O3 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.06287 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 82989-82-0 |
|---|---|
| SMILES | CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)N |
| InChIKey | RAEGIEVTUAVTJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine (CAS 82989-82-0), with molecular formula C10H12ClN5O3 and molecular weight 285.06 g/mol. IUPAC: 2-[(2-amino-6-chloropurin-9-yl)methoxy]ethyl acetate.
Chemical Property Profile of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine
Property Insights of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine. Following Lipinski's Rule of Five, 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine has 1 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 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine?
The CAS number of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine is 82989-82-0.
What is the molecular formula of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine?
The molecular formula of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine is C10H12ClN5O3.
What is the molecular weight of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine?
The molecular weight of 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine is 285.06 g/mol.
Where can I buy 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine?
You can request a quote for 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine?
Yes, KEHONG BIO provides custom synthesis services for 9-((2-Acetoxyethoxy)methyl)-2-amino-6-chloropurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.