Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)
TL;DR: Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) (CAS 35839-95-3) is a chemical compound with molecular formula C24H40N8O11S2 and molecular weight 680.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-acetamido-3-methyl-3-sulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-sulfanylidenepropaneperoxoic acid;acetic acid
Also Known As: Penrgdc, N-acetyl-pen-arg-gly-asp-cys, Cyclo(1,5)-Ac-pen-arg-gly-asp-cys-OH, Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl), n-acetyl-pen-arg-gly-asp-cys [disulfide bridge: 1-5]
| Molecular Formula | C24H40N8O11S2 |
|---|---|
| Molecular Weight | 680.23 g/mol |
| LogP | -3.4805 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 680.22577 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 35839-95-3 |
|---|---|
| SMILES | CC(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC=O)C(=O)N[C@@H](C=S)C(=O)OO)C(C)(C)S.CC(=O)O |
| InChIKey | FLJZYJMUWOPMQL-IAFOQGIUSA-N |
Product Overview
Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) (CAS 35839-95-3), with molecular formula C24H40N8O11S2 and molecular weight 680.23 g/mol. IUPAC: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-acetamido-3-methyl-3-sulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-sulfanylidenepropaneperoxoic acid;acetic acid.
Chemical Property Profile of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)
Property Insights of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)
The XLogP value of -3.4805 indicates that Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 344.0 Ų indicates high polarity, suggesting Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)?
The CAS number of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) is 35839-95-3.
What is the molecular formula of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)?
The molecular formula of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) is C24H40N8O11S2.
What is the molecular weight of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)?
The molecular weight of Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) is 680.23 g/mol.
Where can I buy Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)?
You can request a quote for Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)?
Yes, KEHONG BIO provides custom synthesis services for Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.