![[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate structure](/static/products/100/1002046-05-0.png)
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
TL;DR: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate (CAS 1002046-05-0) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
Also Known As: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate|[(1-cyanocyclopentyl)carbamoyl]methyl 3-(1,3-benzothiazol-2-yl)prop-2-enoate|EN300-26688753
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.80528 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 826.8186 |
Chemical Identifiers
| CAS Number | 1002046-05-0 |
|---|---|
| SMILES | C1CCC(C1)(C#N)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2 |
Product Overview
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate (CAS 1002046-05-0), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate.
Chemical Property Profile of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
Property Insights of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
The XLogP value of 2.80528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate has 1 hydrogen bond donor(s) and 6 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-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The CAS number of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is 1002046-05-0.
What is the molecular formula of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The molecular formula of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is C18H17N3O3S.
What is the molecular weight of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
The molecular weight of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is 355.10 g/mol.
Where can I buy [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
You can request a quote for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.