![[(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate structure](/static/products/121/1212417-53-2.png)
[(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
TL;DR: [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate (CAS 1212417-53-2) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate|MLS001078633|SMR000709450|EN300-26685667
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 2.43318 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 751.33014 |
Chemical Identifiers
| CAS Number | 1212417-53-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)OCC2=CC=CC=C2 |
Product Overview
[(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate (CAS 1212417-53-2), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
Property Insights of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
The XLogP value of 2.43318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate. Following Lipinski's Rule of Five, [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate has 2 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 [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate?
The CAS number of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate is 1212417-53-2.
What is the molecular formula of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate?
The molecular formula of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate is C21H27N3O5.
What is the molecular weight of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate?
The molecular weight of [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate is 401.20 g/mol.
Where can I buy [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate?
You can request a quote for [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate 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 (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclopentyl)carbamoyl]methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.