Carbocyclic-3'-deoxy-2',3'-didehydrothymidine
TL;DR: Carbocyclic-3'-deoxy-2',3'-didehydrothymidine (CAS 118237-75-5) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
Also Known As: C-D4T, Carbocyclic-3'-deoxy-2',3'-didehydrothymidine, 2,4(1H,3H)-Pyrimidinedione, 1-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-5-methyl-, cis-, 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-pyrimidine-2,4-dione, 1-[(1R,4S)-4-(Hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 118237-75-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C=C2)CO |
| InChIKey | XKLCOAHIDXDOAE-BDAKNGLRSA-N |
Product Overview
Carbocyclic-3'-deoxy-2',3'-didehydrothymidine (CAS 118237-75-5), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine
Property Insights of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine
The XLogP value of -0.2 indicates that Carbocyclic-3'-deoxy-2',3'-didehydrothymidine 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'-deoxy-2',3'-didehydrothymidine. Following Lipinski's Rule of Five, Carbocyclic-3'-deoxy-2',3'-didehydrothymidine 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
Frequently Asked Questions
What is the CAS number of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine?
The CAS number of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine is 118237-75-5.
What is the molecular formula of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine?
The molecular formula of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine is C11H14N2O3.
What is the molecular weight of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine?
The molecular weight of Carbocyclic-3'-deoxy-2',3'-didehydrothymidine is 222.10 g/mol.
Where can I buy Carbocyclic-3'-deoxy-2',3'-didehydrothymidine?
You can request a quote for Carbocyclic-3'-deoxy-2',3'-didehydrothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbocyclic-3'-deoxy-2',3'-didehydrothymidine?
Yes, KEHONG BIO provides custom synthesis services for Carbocyclic-3'-deoxy-2',3'-didehydrothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.