![ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate structure](/static/products/7261/726199-56-0.webp)
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
TL;DR: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate (CAS 726199-56-0) is a chemical compound with molecular formula C22H18N8O3S and molecular weight 474.12 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-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylate, ethyl 2-(benzo[d]oxazol-2-ylamino)-4-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)pyrimidine-5-carboxylate, Ethyl 2-(benzooxazol-2-ylamino)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylate, ETHYL 2-[(1,3-BENZOXAZOL-2-YL)AMINO]-4-{[(1-PHENYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]METHYL}PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C22H18N8O3S |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 3.8061 |
| Topological Polar Surface Area | 133.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.12225 |
| Heavy Atoms | 34 |
| Complexity | 1403.6674 |
Chemical Identifiers
| CAS Number | 726199-56-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=NN=NN2C3=CC=CC=C3)NC4=NC5=CC=CC=C5O4 |
Product Overview
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate (CAS 726199-56-0), with molecular formula C22H18N8O3S and molecular weight 474.12 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Property Insights of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
The XLogP value of 3.8061 indicates that ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 11 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-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate is 726199-56-0.
What is the molecular formula of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate is C22H18N8O3S.
What is the molecular weight of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate is 474.12 g/mol.
Where can I buy ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]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-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.