Cyclo-cadagac
TL;DR: Cyclo-cadagac (CAS 143084-70-2) is a chemical compound with molecular formula C33H45N9O12S3 and molecular weight 855.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]-[(1R)-1-carboxy-2-sulfanylideneethyl]amino]-3-[[2-[(2S)-2-amino-3-[4-amino-3,3-dimethyl-4-(1,3-thiazolidine-2-carbonyl)cyclohexa-1,5-dien-1-yl]propanoyl]iminoacetyl]amino]-4-oxobutanoic acid
Also Known As: Cyclo-cadagac, Cyclo(accys-asn-dtc-amf-gly-asp-cysoh), (3S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]-[(1R)-1-carboxy-2-sulfanylideneethyl]amino]-3-[[2-[(2S)-2-amino-3-[4-amino-3,3-dimethyl-4-(1,3-thiazolidine-2-carbonyl)cyclohexa-1,5-dien-1-yl]propanoyl]iminoacetyl]amino]-4-oxobutanoic acid, Cyclo(N-acetylcysteinyl-asparaginyl-(beta,beta-dimethyl)thioprolyl-(p-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine), Cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)
| Molecular Formula | C33H45N9O12S3 |
|---|---|
| Molecular Weight | 855.24 g/mol |
| LogP | -3.685 |
| Topological Polar Surface Area | 352.94 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 855.235 |
| Heavy Atoms | 57 |
| Complexity | 1765.152 |
Chemical Identifiers
| CAS Number | 143084-70-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N([C@@H](C=S)C(=O)O)C(=O)[C@H](CC(=O)O)NC(=O)C=NC(=O)[C@H](CC1=CC(C(C=C1)(C(=O)C2NCCS2)N)(C)C)N |
Product Overview
Cyclo-cadagac (CAS 143084-70-2), with molecular formula C33H45N9O12S3 and molecular weight 855.24 g/mol. IUPAC: (3S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]-[(1R)-1-carboxy-2-sulfanylideneethyl]amino]-3-[[2-[(2S)-2-amino-3-[4-amino-3,3-dimethyl-4-(1,3-thiazolidine-2-carbonyl)cyclohexa-1,5-dien-1-yl]propanoyl]iminoacetyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Cyclo-cadagac
Property Insights of Cyclo-cadagac
The XLogP value of -3.685 indicates that Cyclo-cadagac is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 352.94 Ų indicates high polarity, suggesting Cyclo-cadagac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo-cadagac has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclo-cadagac?
The CAS number of Cyclo-cadagac is 143084-70-2.
What is the molecular formula of Cyclo-cadagac?
The molecular formula of Cyclo-cadagac is C33H45N9O12S3.
What is the molecular weight of Cyclo-cadagac?
The molecular weight of Cyclo-cadagac is 855.24 g/mol.
Where can I buy Cyclo-cadagac?
You can request a quote for Cyclo-cadagac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclo-cadagac?
Yes, KEHONG BIO provides custom synthesis services for Cyclo-cadagac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.