![ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate structure](/static/products/5439/5439-54-3.webp)
ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate
TL;DR: ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate (CAS 5439-54-3) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate, Ethyl 5-(2-(2-((4-ethylphenyl)amino)-2-oxoethoxy)phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-[2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 5-{2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl}-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 5.0343 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1170.8231 |
Chemical Identifiers
| CAS Number | 5439-54-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C3C(=C(N=C4N3C=CS4)C)C(=O)OCC |
Product Overview
ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate (CAS 5439-54-3), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: ethyl 5-[2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate
Property Insights of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate
The XLogP value of 5.0343 indicates that ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate?
The CAS number of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate is 5439-54-3.
What is the molecular formula of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate?
The molecular formula of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate is C26H27N3O4S.
What is the molecular weight of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate?
The molecular weight of ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate is 477.17 g/mol.
Where can I buy ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate?
You can request a quote for ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-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-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-[(4-ethylphenyl)carbamoylmethoxy]phenyl]-4-methyl-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-triene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.