![[(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate structure](/static/products/103/1031037-97-4.png)
[(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate (CAS 1031037-97-4) is a chemical compound with molecular formula C23H29N3O3 and molecular weight 395.22 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-[4-(azepan-1-yl)phenyl]prop-2-enoate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate|EN300-26686875
| Molecular Formula | C23H29N3O3 |
|---|---|
| Molecular Weight | 395.22 g/mol |
| LogP | 3.57598 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.2209 |
| Heavy Atoms | 29 |
| Complexity | 765.553 |
Chemical Identifiers
| CAS Number | 1031037-97-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NC3(CCCC3)C#N |
Product Overview
[(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate (CAS 1031037-97-4), with molecular formula C23H29N3O3 and molecular weight 395.22 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate.
Chemical Property Profile of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
Property Insights of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
The XLogP value of 3.57598 indicates that [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate has 1 hydrogen bond donor(s) and 5 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 [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate?
The CAS number of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate is 1031037-97-4.
What is the molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate?
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate is C23H29N3O3.
What is the molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate?
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate is 395.22 g/mol.
Where can I buy [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate?
You can request a quote for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]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 [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclopentyl)carbamoyl]methyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.