Clavamine
TL;DR: Clavamine (CAS 129121-68-2) is a chemical compound with molecular formula C35H60N12O9 and molecular weight 792.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[5-[3-[4-[[(2S)-1-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
Also Known As: Clavamine, Clavamin, (2S)-N-[5-[3-[4-[[(2S)-1-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide, N-(2,4-Dihydroxyphenylacetyl-L-asparaginyl)-N'-(N-(L-arginyl-glycyl-L-alanyl)-8-amino-4-azaoctanoyl)-1,5-pentanediamine, (2S)-N-(5-(3-(4-(((2S)-1-((2-(((2S)-2-amino-5-(diaminomethylideneamino)pentanoyl)amino)acetyl)amino)-1-oxopropan-2-yl)amino)butylamino)propanoylamino)pentyl)-2-((2-(2,4-dihydroxyphenyl)acetyl)amino)butanediamide
| Molecular Formula | C35H60N12O9 |
|---|---|
| Molecular Weight | 792.46 g/mol |
| LogP | -3.7189 |
| Topological Polar Surface Area | 360.6 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 29 |
| Exact Mass | 792.46063 |
| Heavy Atoms | 56 |
| Complexity | 1473.2211 |
Chemical Identifiers
| CAS Number | 129121-68-2 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N)NCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)CC1=C(C=C(C=C1)O)O |
Product Overview
Clavamine (CAS 129121-68-2), with molecular formula C35H60N12O9 and molecular weight 792.46 g/mol. IUPAC: (2S)-N-[5-[3-[4-[[(2S)-1-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide.
Chemical Property Profile of Clavamine
Property Insights of Clavamine
The XLogP value of -3.7189 indicates that Clavamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 360.6 Ų indicates high polarity, suggesting Clavamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clavamine has 13 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clavamine?
The CAS number of Clavamine is 129121-68-2.
What is the molecular formula of Clavamine?
The molecular formula of Clavamine is C35H60N12O9.
What is the molecular weight of Clavamine?
The molecular weight of Clavamine is 792.46 g/mol.
Where can I buy Clavamine?
You can request a quote for Clavamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clavamine?
Yes, KEHONG BIO provides custom synthesis services for Clavamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.