N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol
TL;DR: N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol (CAS 121330-13-0) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile
Also Known As: N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol, 1-Pyrrolidinepropanenitrile, 4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-, (2R-cis)-, 3-[(1S,2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile, 3-[(2R,4R)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pyrrolidin-1-yl]propanenitrile, 3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile
Technical Specifications
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.13788 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.13788 Da |
| Heavy Atoms | 20 |
| Complexity | 493.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](N(C2)CCC#N)CO |
| InChIKey | UKJWXYCQROIMCM-GHMZBOCLSA-N |
Chemical Property Profile of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol
Property Insights of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol
The XLogP value of -1.1 indicates that N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol. Following Lipinski's Rule of Five, N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol?
The CAS number of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol is 121330-13-0.
What is the molecular formula of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol?
The molecular formula of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol is C13H18N4O3.
What is the molecular weight of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol?
The molecular weight of N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol is 278.13788 g/mol.
Where can I buy N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol?
You can request a quote for N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol?
Yes, CoreyChem provides custom synthesis services for N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.