1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose
TL;DR: 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose (CAS 52995-50-3) is a chemical compound with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4R,5S)-4-hydroxy-5-(2H-tetrazol-5-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4-(1-Indanyl)-pyrocatechol, 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose, 1-[(2R,4R,5S)-4-hydroxy-5-(2H-tetrazol-5-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, (2R-(2alpha,4beta,5alpha))-5-Methyl-1-(tetrahydro-4-hydroxy-5-(1H-tetrazol-5-yl)-2-furanyl)-2,4(1H,3H)-pyrimidinedione, 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(tetrahydro-4-hydroxy-5-(1H-tetrazol-5-yl)-2-furanyl)-, (2R-(2alpha,4beta,5alpha))-
| Molecular Formula | C10H12N6O4 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.092 |
| Heavy Atoms | 20 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 52995-50-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@@H](O2)C3=NNN=N3)O |
| InChIKey | SSKGQWRBRROYBA-FSDSQADBSA-N |
Product Overview
1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose (CAS 52995-50-3), with molecular formula C10H12N6O4 and molecular weight 280.09 g/mol. IUPAC: 1-[(2R,4R,5S)-4-hydroxy-5-(2H-tetrazol-5-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose
Property Insights of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose
The XLogP value of -1.8 indicates that 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose. Following Lipinski's Rule of Five, 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose has 3 hydrogen bond donor(s) and 7 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'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose?
The CAS number of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose is 52995-50-3.
What is the molecular formula of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose?
The molecular formula of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose is C10H12N6O4.
What is the molecular weight of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose?
The molecular weight of 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose is 280.09 g/mol.
Where can I buy 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose?
You can request a quote for 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose?
Yes, KEHONG BIO provides custom synthesis services for 1'-Thymin-1-yl-3'-O-acetyl-4'(R)-C-tetrazolo-2'-deoxy-beta-D-erythrofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.