2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- (CAS 79719-29-2) is a chemical compound with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(hydroxymethyl)pyrimidine-2,4-dione
Also Known As: 1,3-bis (hydroxymethyl)uracil, 2,4 -Pyrimidinedione,1,3-bis -, 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-, 1,3-bis(hydroxymethyl)pyrimidine-2,4-dione, 1,3-bis(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 79719-29-2 |
|---|---|
| SMILES | C1=CN(C(=O)N(C1=O)CO)CO |
| InChIKey | XVTXBNKTGQKGLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- (CAS 79719-29-2), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: 1,3-bis(hydroxymethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-
The XLogP value of -1.2 indicates that 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- 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 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- is 79719-29-2.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- is C6H8N2O4.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- is 172.05 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.