3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one
TL;DR: 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one (CAS 87171-83-3) is a chemical compound with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[1,2-a]purin-10-one
Also Known As: M1G-deoxyribose, M(1)G-deoxyribose, M1G-dR, Malondialdehyde-2'-deoxyguanosine adduct, 3-(2'-Deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one
| Molecular Formula | C13H13N5O4 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.09674 |
| Heavy Atoms | 22 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 87171-83-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2N=C4N=CC=CN4C3=O)CO)O |
| InChIKey | QZDHOBJINVXQCJ-YIZRAAEISA-N |
Product Overview
3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one (CAS 87171-83-3), with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol. IUPAC: 3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[1,2-a]purin-10-one.
Chemical Property Profile of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one
Property Insights of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one
The XLogP value of -1.3 indicates that 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one. Following Lipinski's Rule of Five, 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one has 2 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 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one?
The CAS number of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one is 87171-83-3.
What is the molecular formula of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one?
The molecular formula of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one is C13H13N5O4.
What is the molecular weight of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one?
The molecular weight of 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one is 303.10 g/mol.
Where can I buy 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one?
You can request a quote for 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2'-deoxyribofuranosyl)pyrimido(1,2-a)purin-10(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.