Pyrimidine-5-carboxaldehyde
TL;DR: Pyrimidine-5-carboxaldehyde (CAS 100700-13-8) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidine-5-carbaldehyde
Also Known As: Pyrimidine-5-carbaldehyde, Pyrimidine-5-carboxaldehyde, 5-formylpyrimidine, 5-PYRIMIDINECARBOXALDEHYDE, null
| Molecular Formula | C5H4N2O |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 0.2891 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.032364 |
| Heavy Atoms | 8 |
| Complexity | 173.04337 |
Chemical Identifiers
| CAS Number | 100700-13-8 |
|---|---|
| SMILES | C1=C(C=NC=N1)C=O |
Product Overview
Pyrimidine-5-carboxaldehyde (CAS 100700-13-8), with molecular formula C5H4N2O and molecular weight 108.03 g/mol. IUPAC: pyrimidine-5-carbaldehyde.
Chemical Property Profile of Pyrimidine-5-carboxaldehyde
Property Insights of Pyrimidine-5-carboxaldehyde
The XLogP value of 0.2891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine-5-carboxaldehyde. With a topological polar surface area (TPSA) of 42.85 Ų, Pyrimidine-5-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine-5-carboxaldehyde has 0 hydrogen bond donor(s) and 3 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 Pyrimidine-5-carboxaldehyde?
The CAS number of Pyrimidine-5-carboxaldehyde is 100700-13-8.
What is the molecular formula of Pyrimidine-5-carboxaldehyde?
The molecular formula of Pyrimidine-5-carboxaldehyde is C5H4N2O.
What is the molecular weight of Pyrimidine-5-carboxaldehyde?
The molecular weight of Pyrimidine-5-carboxaldehyde is 108.03 g/mol.
Where can I buy Pyrimidine-5-carboxaldehyde?
You can request a quote for Pyrimidine-5-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-5-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-5-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.