![ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate structure](/static/products/6697/669746-20-7.webp)
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate
TL;DR: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate (CAS 669746-20-7) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 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-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate, ethyl 2-(benzo[d]oxazol-2-ylamino)-4-methyl-6-((p-tolylthio)methyl)pyrimidine-5-carboxylate, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate, ethyl 2-(benzoxazol-2-ylamino)-4-methyl-6-[(4-methylphenylthio)methyl]pyrimidi ne-5-carboxylate
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 5.44724 |
| Topological Polar Surface Area | 90.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1188.4591 |
Chemical Identifiers
| CAS Number | 669746-20-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(N=C1CSC2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4O3)C |
Product Overview
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate (CAS 669746-20-7), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate
Property Insights of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate
The XLogP value of 5.44724 indicates that ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate 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 ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate is 669746-20-7.
What is the molecular formula of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate is C23H22N4O3S.
What is the molecular weight of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate is 434.14 g/mol.
Where can I buy ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methyl-6-{[(4-methylphenyl)thio]methyl}pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.