6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose
TL;DR: 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose (CAS 69828-00-8) is a chemical compound with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: Sid 749909, 6-Thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose, 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione, 2-Amino-9-[2,3-dideoxy-3-(hydroxymethyl)-beta-D-erythro-pentofuranosyl]-3,9-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 2-amino-9-(2,3-dideoxy-3-(hydroxymethyl)-alpha-D-erythro-pentofuranosyl)-1,9-dihydro-
| Molecular Formula | C11H15N5O3S |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | -0.04061 |
| Topological Polar Surface Area | 122.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08957 |
| Heavy Atoms | 20 |
| Complexity | 672.2387 |
Chemical Identifiers
| CAS Number | 69828-00-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)CO |
Product Overview
6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose (CAS 69828-00-8), with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol. IUPAC: 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose
Property Insights of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose
The XLogP value of -0.04061 indicates that 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose. Following Lipinski's Rule of Five, 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose has 4 hydrogen bond donor(s) and 7 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-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose?
The CAS number of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose is 69828-00-8.
What is the molecular formula of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose?
The molecular formula of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose is C11H15N5O3S.
What is the molecular weight of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose?
The molecular weight of 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose is 297.09 g/mol.
Where can I buy 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose?
You can request a quote for 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose?
Yes, KEHONG BIO provides custom synthesis services for 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-D-erythro-pentafuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.