Carbocyclic-3'-deoxythymidine
TL;DR: Carbocyclic-3'-deoxythymidine (CAS 117957-63-8) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Also Known As: C-ddT, Carbocyclic-3'-deoxythymidine, 4 -O-Carba-3 -deoxythymidine, Thymine, 1-[cis-3-(hydroxymethyl)cyclopentyl]-, 2,4(1H,3H)-Pyrimidinedione, 1-(3-(hydroxymethyl)cyclopentyl)-5-methyl-, (1S-cis)-
Technical Specifications
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.11609 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.11609 Da |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](C2)CO |
| InChIKey | RLYNPXSONXEUFO-BDAKNGLRSA-N |
Chemical Property Profile of Carbocyclic-3'-deoxythymidine
Property Insights of Carbocyclic-3'-deoxythymidine
The XLogP value of -1.1 indicates that Carbocyclic-3'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbocyclic-3'-deoxythymidine. Following Lipinski's Rule of Five, Carbocyclic-3'-deoxythymidine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbocyclic-3'-deoxythymidine?
The CAS number of Carbocyclic-3'-deoxythymidine is 117957-63-8.
What is the molecular formula of Carbocyclic-3'-deoxythymidine?
The molecular formula of Carbocyclic-3'-deoxythymidine is C11H16N2O3.
What is the molecular weight of Carbocyclic-3'-deoxythymidine?
The molecular weight of Carbocyclic-3'-deoxythymidine is 224.11609 g/mol.
Where can I buy Carbocyclic-3'-deoxythymidine?
You can request a quote for Carbocyclic-3'-deoxythymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbocyclic-3'-deoxythymidine?
Yes, CoreyChem provides custom synthesis services for Carbocyclic-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.