N-Cyano-cis-4-(thymin-1-yl)-D-prolinol
TL;DR: N-Cyano-cis-4-(thymin-1-yl)-D-prolinol (CAS 121330-16-3) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonitrile
Also Known As: N-Cyano-cis-4-(thymin-1-yl)-D-prolinol, 1-Pyrrolidinecarbonitrile, 4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-, (2R-cis)-, (2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonitrile, (1S,2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pyrrolidine-1-carbonitrile, (2R,4R)-2-(Hydroxymethyl)-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pyrrolidine-1-carbonitrile
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 121330-16-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](N(C2)C#N)CO |
| InChIKey | NKXJKOHLMGRWJA-RKDXNWHRSA-N |
Product Overview
N-Cyano-cis-4-(thymin-1-yl)-D-prolinol (CAS 121330-16-3), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: (2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonitrile.
Chemical Property Profile of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol
Property Insights of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol
The XLogP value of -0.5 indicates that N-Cyano-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-Cyano-cis-4-(thymin-1-yl)-D-prolinol. Following Lipinski's Rule of Five, N-Cyano-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
Frequently Asked Questions
What is the CAS number of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol?
The CAS number of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol is 121330-16-3.
What is the molecular formula of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol?
The molecular formula of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol is C11H14N4O3.
What is the molecular weight of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol?
The molecular weight of N-Cyano-cis-4-(thymin-1-yl)-D-prolinol is 250.11 g/mol.
Where can I buy N-Cyano-cis-4-(thymin-1-yl)-D-prolinol?
You can request a quote for N-Cyano-cis-4-(thymin-1-yl)-D-prolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-cis-4-(thymin-1-yl)-D-prolinol?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-cis-4-(thymin-1-yl)-D-prolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.