Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)
TL;DR: Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) (CAS 145706-74-7) is a chemical compound with molecular formula C22H37N9O8S2 and molecular weight 619.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-3-sulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2R)-1-amino-1-oxo-3-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: c-Apagac, Cyclo(1,5)-Ac-pen-arg-gly-asp-cys-NH2, Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide), L-Cysteinamide, N-acetyl-3-mercapto-D-valyl-L-arginylglycyl-L-alpha-aspartyl-, cyclic (1-5)-disulfide, N-Acetyl-3-sulfanyl-D-valyl-N~5~-(diaminomethylidene)-L-ornithylglycyl-L-alpha-aspartyl-3-sulfanylidene-L-alaninamide
| Molecular Formula | C22H37N9O8S2 |
|---|---|
| Molecular Weight | 619.22 g/mol |
| LogP | -4.2166 |
| Topological Polar Surface Area | 290.29 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 619.22064 |
| Heavy Atoms | 41 |
| Complexity | 1044.5687 |
Chemical Identifiers
| CAS Number | 145706-74-7 |
|---|---|
| SMILES | CC(=O)N[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C=S)C(=O)N)C(C)(C)S |
Product Overview
Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) (CAS 145706-74-7), with molecular formula C22H37N9O8S2 and molecular weight 619.22 g/mol. IUPAC: (3S)-3-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-3-sulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2R)-1-amino-1-oxo-3-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)
Property Insights of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)
The XLogP value of -4.2166 indicates that Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.29 Ų indicates high polarity, suggesting Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)?
The CAS number of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) is 145706-74-7.
What is the molecular formula of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)?
The molecular formula of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) is C22H37N9O8S2.
What is the molecular weight of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)?
The molecular weight of Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) is 619.22 g/mol.
Where can I buy Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)?
You can request a quote for Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide)?
Yes, KEHONG BIO provides custom synthesis services for Cyclo(acetylpenicillamyl-arginyl-glycyl-aspartyl-cysteinamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.