6-Benzylamino-9-(a-D-glucopyranosyl)purine
TL;DR: 6-Benzylamino-9-(a-D-glucopyranosyl)purine (CAS 4294-17-1) is a chemical compound with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(benzylamino)purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: CERICTITANATE, N6-Benzyladenine 9-glucoside, 6-Benzylaminopurine 9-(, A-D-glucoside), 6-Benzylaminopurine 9-(beta-D-glucoside)
| Molecular Formula | C18H21N5O5 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | -0.5892 |
| Topological Polar Surface Area | 145.78 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.15427 |
| Heavy Atoms | 28 |
| Complexity | 934.5208 |
Chemical Identifiers
| CAS Number | 4294-17-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(C(O4)CO)O)O)O |
Product Overview
6-Benzylamino-9-(a-D-glucopyranosyl)purine (CAS 4294-17-1), with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol. IUPAC: 2-[6-(benzylamino)purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 6-Benzylamino-9-(a-D-glucopyranosyl)purine
Property Insights of 6-Benzylamino-9-(a-D-glucopyranosyl)purine
The XLogP value of -0.5892 indicates that 6-Benzylamino-9-(a-D-glucopyranosyl)purine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.78 Ų indicates high polarity, suggesting 6-Benzylamino-9-(a-D-glucopyranosyl)purine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Benzylamino-9-(a-D-glucopyranosyl)purine 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 6-Benzylamino-9-(a-D-glucopyranosyl)purine?
The CAS number of 6-Benzylamino-9-(a-D-glucopyranosyl)purine is 4294-17-1.
What is the molecular formula of 6-Benzylamino-9-(a-D-glucopyranosyl)purine?
The molecular formula of 6-Benzylamino-9-(a-D-glucopyranosyl)purine is C18H21N5O5.
What is the molecular weight of 6-Benzylamino-9-(a-D-glucopyranosyl)purine?
The molecular weight of 6-Benzylamino-9-(a-D-glucopyranosyl)purine is 387.15 g/mol.
Where can I buy 6-Benzylamino-9-(a-D-glucopyranosyl)purine?
You can request a quote for 6-Benzylamino-9-(a-D-glucopyranosyl)purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzylamino-9-(a-D-glucopyranosyl)purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylamino-9-(a-D-glucopyranosyl)purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.