5-苄氧基嘧啶-2-甲酸
TL;DR: 5-苄氧基嘧啶-2-甲酸 (CAS 959020-18-9) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苄氧基嘧啶-2-甲酸
5-phenylmethoxypyrimidine-2-carboxylic acid
Also Known As: 5-Benzyloxypyrimidine-2-carboxylic acid, 5-(benzyloxy)pyrimidine-2-carboxylic acid, 5-phenylmethoxypyrimidine-2-carboxylic acid, 5-(Benzyloxy)-2-pyrimidinecarboxylic acid #, 5-[(Benzyl)oxy]pyrimidine-2-carboxylic acid
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 959020-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CN=C(N=C2)C(=O)O |
| InChIKey | XDRJRCXTHHOXKG-UHFFFAOYSA-N |
Product Overview
5-苄氧基嘧啶-2-甲酸 (CAS 959020-18-9), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 5-phenylmethoxypyrimidine-2-carboxylic acid.
Chemical Property Profile of 5-苄氧基嘧啶-2-甲酸
Property Insights of 5-苄氧基嘧啶-2-甲酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-苄氧基嘧啶-2-甲酸. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-苄氧基嘧啶-2-甲酸. Following Lipinski's Rule of Five, 5-苄氧基嘧啶-2-甲酸 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 5-苄氧基嘧啶-2-甲酸?
The CAS number of 5-苄氧基嘧啶-2-甲酸 is 959020-18-9.
What is the molecular formula of 5-苄氧基嘧啶-2-甲酸?
The molecular formula of 5-苄氧基嘧啶-2-甲酸 is C12H10N2O3.
What is the molecular weight of 5-苄氧基嘧啶-2-甲酸?
The molecular weight of 5-苄氧基嘧啶-2-甲酸 is 230.07 g/mol.
Where can I buy 5-苄氧基嘧啶-2-甲酸?
You can request a quote for 5-苄氧基嘧啶-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苄氧基嘧啶-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-苄氧基嘧啶-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.