6-Aza-ddC
TL;DR: 6-Aza-ddC (CAS 129454-53-1) is a chemical compound with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
Also Known As: 6-Aza-ddC, 2',3'-Dideoxy-6-azacytidine, 2-phenylmethoxyoctan-1-ol, 1,2,4-Triazin-3(2H)-one, 5-amino-2-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-, (2R-cis)-, 5-amino-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
| Molecular Formula | C8H12N4O3 |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09094 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 129454-53-1 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1CO)N2C(=O)N=C(C=N2)N |
| InChIKey | IUXKWQRHVOZLOR-CAHLUQPWSA-N |
Product Overview
6-Aza-ddC (CAS 129454-53-1), with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol. IUPAC: 5-amino-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one.
Chemical Property Profile of 6-Aza-ddC
Property Insights of 6-Aza-ddC
The XLogP value of -1.2 indicates that 6-Aza-ddC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Aza-ddC. Following Lipinski's Rule of Five, 6-Aza-ddC has 2 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 6-Aza-ddC?
The CAS number of 6-Aza-ddC is 129454-53-1.
What is the molecular formula of 6-Aza-ddC?
The molecular formula of 6-Aza-ddC is C8H12N4O3.
What is the molecular weight of 6-Aza-ddC?
The molecular weight of 6-Aza-ddC is 212.09 g/mol.
Where can I buy 6-Aza-ddC?
You can request a quote for 6-Aza-ddC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Aza-ddC?
Yes, KEHONG BIO provides custom synthesis services for 6-Aza-ddC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.