beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
TL;DR: beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- (CAS 52995-49-0) is a chemical compound with molecular formula C10H11N3O4 and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
Also Known As: beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-, 1,2-Dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronitrile, (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile, (2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolane-2-carbonitrile, (2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolane-2-carbonitrile
| Molecular Formula | C10H11N3O4 |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07495 |
| Heavy Atoms | 17 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 52995-49-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C#N)O |
| InChIKey | NQLUSKDYKMASBW-XLPZGREQSA-N |
Product Overview
beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- (CAS 52995-49-0), with molecular formula C10H11N3O4 and molecular weight 237.07 g/mol. IUPAC: (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile.
Chemical Property Profile of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
Property Insights of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
The XLogP value of -0.7 indicates that beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-. Following Lipinski's Rule of Five, beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- 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 beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-?
The CAS number of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- is 52995-49-0.
What is the molecular formula of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-?
The molecular formula of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- is C10H11N3O4.
What is the molecular weight of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-?
The molecular weight of beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- is 237.07 g/mol.
Where can I buy beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-?
You can request a quote for beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-erythro-Pentofuranuronitrile, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.