NCI60_000467
TL;DR: NCI60_000467 (CAS 28097-22-5) is a chemical compound with molecular formula C18H21N5O6 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one
Also Known As: NCI60_000467, 2-amino-8-(benzyloxy)-1-methyl-9-pentofuranosyl-1,9-dihydro-6h-purin-6-one, 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxy-purin-6-one, 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one
| Molecular Formula | C18H21N5O6 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.14917 |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 28097-22-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1N)N(C(=N2)OCC3=CC=CC=C3)C4C(C(C(O4)CO)O)O |
| InChIKey | GGBYVYDNNBAHOS-UHFFFAOYSA-N |
Product Overview
NCI60_000467 (CAS 28097-22-5), with molecular formula C18H21N5O6 and molecular weight 403.15 g/mol. IUPAC: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one.
Chemical Property Profile of NCI60_000467
Property Insights of NCI60_000467
The XLogP value of -0.8 indicates that NCI60_000467 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting NCI60_000467 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_000467 has 4 hydrogen bond donor(s) and 8 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 NCI60_000467?
The CAS number of NCI60_000467 is 28097-22-5.
What is the molecular formula of NCI60_000467?
The molecular formula of NCI60_000467 is C18H21N5O6.
What is the molecular weight of NCI60_000467?
The molecular weight of NCI60_000467 is 403.15 g/mol.
Where can I buy NCI60_000467?
You can request a quote for NCI60_000467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_000467?
Yes, KEHONG BIO provides custom synthesis services for NCI60_000467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.