2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester
TL;DR: 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester (CAS 669718-80-3) is a chemical compound with molecular formula C20H24N6O3 and molecular weight 396.19 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-[(4-methylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate
Also Known As: 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate, 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1-piperazinyl)methyl]-5-pyrimidinecarboxylic acid ethyl ester, 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazino)methyl]pyrimidine-5-carboxylic acid ethyl ester, ethyl 2-(benzo[d]oxazol-2-ylamino)-4-((4-methylpiperazin-1-yl)methyl)pyrimidine-5-carboxylate
| Molecular Formula | C20H24N6O3 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 2.2855 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.19098 |
| Heavy Atoms | 29 |
| Complexity | 963.8002 |
Chemical Identifiers
| CAS Number | 669718-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CN2CCN(CC2)C)NC3=NC4=CC=CC=C4O3 |
Product Overview
2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester (CAS 669718-80-3), with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate.
Chemical Property Profile of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester
Property Insights of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester
The XLogP value of 2.2855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 9 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-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester?
The CAS number of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester is 669718-80-3.
What is the molecular formula of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester?
The molecular formula of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester is C20H24N6O3.
What is the molecular weight of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester?
The molecular weight of 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester is 396.19 g/mol.
Where can I buy 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester?
You can request a quote for 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-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-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzooxazol-2-ylamino)-4-(4-methyl-piperazin-1-ylmethyl)-pyrimidine-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.