1-Deazatubercidin
TL;DR: 1-Deazatubercidin (CAS 89283-46-5) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 1-Deazatubercidin, KST-1B9047, 1-(, A-d-ribofuranosyl)-1h-pyrrolo[2,3-b]pyridin-4-amine, 1-Pentofuranosyl-1H-pyrrolo[2,3-b]pyridin-4-amine
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 89283-46-5 |
|---|---|
| SMILES | C1=CN=C2C(=C1N)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | ICSYNCVSXUEZDG-DNRKLUKYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Deazatubercidin (CAS 89283-46-5), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 1-Deazatubercidin
Property Insights of 1-Deazatubercidin
The XLogP value of -1.0 indicates that 1-Deazatubercidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Deazatubercidin. Following Lipinski's Rule of Five, 1-Deazatubercidin has 4 hydrogen bond donor(s) and 6 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-Deazatubercidin?
The CAS number of 1-Deazatubercidin is 89283-46-5.
What is the molecular formula of 1-Deazatubercidin?
The molecular formula of 1-Deazatubercidin is C12H15N3O4.
What is the molecular weight of 1-Deazatubercidin?
The molecular weight of 1-Deazatubercidin is 265.11 g/mol.
Where can I buy 1-Deazatubercidin?
You can request a quote for 1-Deazatubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deazatubercidin?
Yes, KEHONG BIO provides custom synthesis services for 1-Deazatubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.