1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one
TL;DR: 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one (CAS 111160-28-2) is a chemical compound with molecular formula C12H14ClN5O3 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
Also Known As: 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one, 1-(5-Chloro-2,5-dideoxy-.beta.-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one, 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one, 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one, 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
| Molecular Formula | C12H14ClN5O3 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07852 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 111160-28-2 |
|---|---|
| SMILES | CC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)CCl)O |
| InChIKey | PDTYFSKQWVDABZ-IVZWLZJFSA-N |
Product Overview
1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one (CAS 111160-28-2), with molecular formula C12H14ClN5O3 and molecular weight 311.08 g/mol. IUPAC: 1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one.
Chemical Property Profile of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one
Property Insights of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one has 1 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 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one?
The CAS number of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one is 111160-28-2.
What is the molecular formula of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one?
The molecular formula of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one is C12H14ClN5O3.
What is the molecular weight of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one?
The molecular weight of 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one is 311.08 g/mol.
Where can I buy 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one?
You can request a quote for 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2,5-dideoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.