6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one
TL;DR: 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one (CAS 18752-21-1) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
Also Known As: 6-amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one, 6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 18752-21-1 |
|---|---|
| SMILES | C1C(C(OC1N2C=NC(=CC2=O)N)CO)O |
| InChIKey | MCZZSXJFGWDUTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one (CAS 18752-21-1), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: 6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one.
Chemical Property Profile of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one
Property Insights of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one
The XLogP value of -1.5 indicates that 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one has 3 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 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one?
The CAS number of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one is 18752-21-1.
What is the molecular formula of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one?
The molecular formula of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one is C9H13N3O4.
What is the molecular weight of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one?
The molecular weight of 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one is 227.09 g/mol.
Where can I buy 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one?
You can request a quote for 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-3-(2-deoxypentofuranosyl)pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.