2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester
TL;DR: 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester (CAS 669752-04-9) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzoxazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate
Also Known As: BAS 07529310, 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester, ethyl 2-(1,3-benzoxazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate, ethyl 2-(benzoxazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate, ethyl 2-(benzo[d]oxazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 3.15494 |
| Topological Polar Surface Area | 90.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 816.6379 |
Chemical Identifiers
| CAS Number | 669752-04-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3O2)C |
Product Overview
2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester (CAS 669752-04-9), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate.
Chemical Property Profile of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester
Property Insights of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester
The XLogP value of 3.15494 indicates that 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 7 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-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester?
The CAS number of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester is 669752-04-9.
What is the molecular formula of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester?
The molecular formula of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester is C16H16N4O3.
What is the molecular weight of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester?
The molecular weight of 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester is 312.12 g/mol.
Where can I buy 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester?
You can request a quote for 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzooxazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.