1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine
TL;DR: 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine (CAS 130481-61-7) is a chemical compound with molecular formula C11H15N5O4 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-azido-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Homo-AZT, AZT analog, 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine, 1-(3-Azido-2,3,5-trideoxy-beta-D-allofuranosyl)thymine, 2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-2,3,5-trideoxy-beta-D-erythro-hexofuranosyl)-5-methyl-
| Molecular Formula | C11H15N5O4 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1124 |
| Heavy Atoms | 20 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 130481-61-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCO)N=[N+]=[N-] |
| InChIKey | ZUYSJOBAOKXRAG-DJLDLDEBSA-N |
Product Overview
1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine (CAS 130481-61-7), with molecular formula C11H15N5O4 and molecular weight 281.11 g/mol. IUPAC: 1-[(2R,4S,5R)-4-azido-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine
Property Insights of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine 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 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine?
The CAS number of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine is 130481-61-7.
What is the molecular formula of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine?
The molecular formula of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine is C11H15N5O4.
What is the molecular weight of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine?
The molecular weight of 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine is 281.11 g/mol.
Where can I buy 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine?
You can request a quote for 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3'-Azido-2',3',5'-trideoxy-beta-D-allofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.