5-Aza-1-deaza-ddC
TL;DR: 5-Aza-1-deaza-ddC (CAS 114551-64-3) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
Also Known As: 5-Aza-1-deaza-ddC, 5-Aza-1-deaza-2',3'-dideoxycytosine, 2',3'-Dideoxy-5-aza-6-deaza-4-deoxo-4-imino-cytidine, 4(1H)-Pyrimidinone, 2-amino-5-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-, (2R-cis)-, 2-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 114551-64-3 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1CO)C2=CN=C(NC2=O)N |
| InChIKey | QFLQFVGGIKVFFP-CAHLUQPWSA-N |
Product Overview
5-Aza-1-deaza-ddC (CAS 114551-64-3), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: 2-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Aza-1-deaza-ddC
Property Insights of 5-Aza-1-deaza-ddC
The XLogP value of -1.7 indicates that 5-Aza-1-deaza-ddC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aza-1-deaza-ddC. Following Lipinski's Rule of Five, 5-Aza-1-deaza-ddC has 3 hydrogen bond donor(s) and 4 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-Aza-1-deaza-ddC?
The CAS number of 5-Aza-1-deaza-ddC is 114551-64-3.
What is the molecular formula of 5-Aza-1-deaza-ddC?
The molecular formula of 5-Aza-1-deaza-ddC is C9H13N3O3.
What is the molecular weight of 5-Aza-1-deaza-ddC?
The molecular weight of 5-Aza-1-deaza-ddC is 211.10 g/mol.
Where can I buy 5-Aza-1-deaza-ddC?
You can request a quote for 5-Aza-1-deaza-ddC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aza-1-deaza-ddC?
Yes, KEHONG BIO provides custom synthesis services for 5-Aza-1-deaza-ddC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.