1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
TL;DR: 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one (CAS 191023-24-2) is a chemical compound with molecular formula C17H20N6O6 and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxypurin-6-one
Also Known As: KST-1B1331, 1,2-diamino-8-(benzyloxy)-9-pentofuranosyl-1,9-dihydro-6h-purin-6-one, 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one, 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxypurin-6-one, 1-Amino-8-(benzyloxy)-2-imino-9-pentofuranosyl-1,2,3,9-tetrahydro-6H-purin-6-one
| Molecular Formula | C17H20N6O6 |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14444 |
| Heavy Atoms | 29 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 191023-24-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=C(N(C3=O)N)N |
| InChIKey | OXZSGYYNRJMCKU-UHFFFAOYSA-N |
Product Overview
1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one (CAS 191023-24-2), with molecular formula C17H20N6O6 and molecular weight 404.14 g/mol. IUPAC: 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-phenylmethoxypurin-6-one.
Chemical Property Profile of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
Property Insights of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
The XLogP value of -1.5 indicates that 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one has 5 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 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one?
The CAS number of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one is 191023-24-2.
What is the molecular formula of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one?
The molecular formula of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one is C17H20N6O6.
What is the molecular weight of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one?
The molecular weight of 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one is 404.14 g/mol.
Where can I buy 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one?
You can request a quote for 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.