1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol
TL;DR: 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol (CAS 80646-65-7) is a chemical compound with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one
Also Known As: 2-Dmac, 2'-Deoxy-6-methyl-5-azacytidine, 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol, 1-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol, 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one
| Molecular Formula | C9H14N4O4 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.1015 |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 80646-65-7 |
|---|---|
| SMILES | CC1=NC(=NC(=O)N1[C@@H]2C[C@@H]([C@H](O2)CO)O)N |
| InChIKey | ATTRMYMZQWIZOR-XVMARJQXSA-N |
Product Overview
1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol (CAS 80646-65-7), with molecular formula C9H14N4O4 and molecular weight 242.10 g/mol. IUPAC: 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3,5-triazin-2-one.
Chemical Property Profile of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol
Property Insights of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol
The XLogP value of -1.7 indicates that 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol. Following Lipinski's Rule of Five, 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol 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 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol?
The CAS number of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol is 80646-65-7.
What is the molecular formula of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol?
The molecular formula of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol is C9H14N4O4.
What is the molecular weight of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol?
The molecular weight of 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol is 242.10 g/mol.
Where can I buy 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol?
You can request a quote for 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxypentofuranosyl)-4-imino-6-methyl-1,4-dihydro-1,3,5-triazin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.