5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
TL;DR: 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione (CAS 97975-02-5) is a chemical compound with molecular formula C11H14Cl2N2O4 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethyl)-1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione, 1-(5-Chloro-2,5-dideoxypentofuranosyl)-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one, 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one, 5-(2-chloroethyl)-1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione, 5-(2-chloroethyl)-1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C11H14Cl2N2O4 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.03305 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 97975-02-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)CCl)O |
| InChIKey | UZZUOHQKNROJAN-DJLDLDEBSA-N |
Product Overview
5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione (CAS 97975-02-5), with molecular formula C11H14Cl2N2O4 and molecular weight 308.03 g/mol. IUPAC: 5-(2-chloroethyl)-1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
Property Insights of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione has 2 hydrogen bond donor(s) and 4 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 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The CAS number of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is 97975-02-5.
What is the molecular formula of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The molecular formula of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is C11H14Cl2N2O4.
What is the molecular weight of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
The molecular weight of 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione is 308.03 g/mol.
Where can I buy 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
You can request a quote for 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-ethyl)-1-(5-chloromethyl-4-hydroxy-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.