beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione
TL;DR: beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione (CAS 77031-08-4) is a chemical compound with molecular formula C9H11N3O6 and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9,11-triazatricyclo[6.4.0.02,6]dodec-8-ene-10,12-dione
Also Known As: Sid 769230, KST-1A8156, beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione, (5ar,7r,8r,8as)-8-hydroxy-7-(hydroxymethyl)-3-methyl-5a,7,8,8a-tetrahydro-2h-furo[2',3':4,5][1,3]oxazolo[3,2-a][1,3,5]triazine-2,4(3h)-dione, 2H-Furo(2',3':4,5)oxazolo(3,2-a)-1,3,5-triazine-2,4(3H)-dione, 5a,7,8,8a-tetrahydro-8-hydroxy-7-(hydroxymethyl)-3-methyl-, (5aR-(5aalpha,7beta,8alpha,8aalpha))-
| Molecular Formula | C9H11N3O6 |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.0648 |
| Heavy Atoms | 18 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 77031-08-4 |
|---|---|
| SMILES | CN1C(=O)N=C2N(C1=O)[C@H]3[C@@H](O2)[C@@H]([C@H](O3)CO)O |
| InChIKey | DWLTVXYJYDFYTQ-ARQDHWQXSA-N |
Product Overview
beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione (CAS 77031-08-4), with molecular formula C9H11N3O6 and molecular weight 257.06 g/mol. IUPAC: (2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9,11-triazatricyclo[6.4.0.02,6]dodec-8-ene-10,12-dione.
Chemical Property Profile of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione
Property Insights of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione
The XLogP value of -1.2 indicates that beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione. Following Lipinski's Rule of Five, beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione has 2 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 beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione?
The CAS number of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione is 77031-08-4.
What is the molecular formula of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione?
The molecular formula of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione is C9H11N3O6.
What is the molecular weight of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione?
The molecular weight of beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione is 257.06 g/mol.
Where can I buy beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione?
You can request a quote for beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Arabinofuran(1',2':4,5)oxazolo-1,3,5-triazine-5-N-methyl-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.