5-Hydroxymethyltubercidin
TL;DR: 5-Hydroxymethyltubercidin (CAS 49558-38-5) is a chemical compound with molecular formula C12H16N4O5 and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 5-Hydroxymethyltubercidin, 5-(hydroxymethyl)-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine, 2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C12H16N4O5 |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.11206 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 49558-38-5 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)CO |
| InChIKey | HVMYWBSUWVFUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxymethyltubercidin (CAS 49558-38-5), with molecular formula C12H16N4O5 and molecular weight 296.11 g/mol. IUPAC: 2-[4-amino-5-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 5-Hydroxymethyltubercidin
Property Insights of 5-Hydroxymethyltubercidin
The XLogP value of -2.2 indicates that 5-Hydroxymethyltubercidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 5-Hydroxymethyltubercidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Hydroxymethyltubercidin has 5 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 5-Hydroxymethyltubercidin?
The CAS number of 5-Hydroxymethyltubercidin is 49558-38-5.
What is the molecular formula of 5-Hydroxymethyltubercidin?
The molecular formula of 5-Hydroxymethyltubercidin is C12H16N4O5.
What is the molecular weight of 5-Hydroxymethyltubercidin?
The molecular weight of 5-Hydroxymethyltubercidin is 296.11 g/mol.
Where can I buy 5-Hydroxymethyltubercidin?
You can request a quote for 5-Hydroxymethyltubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxymethyltubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxymethyltubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.