Bombolitin I
TL;DR: Bombolitin I (CAS 95648-97-8) is a chemical compound with molecular formula C85H155N23O19S and molecular weight 1834.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Also Known As: Bombolitin I, Bombolitin BI, Bombolitin I (bombus Pennsylvanicus), L-Valinamide, L-isoleucyl-L-lysyl-L-isoleucyl-L-threonyl-L-threonyl-L-methionyl-L-leucyl-L-alanyl-L-lysyl-L-leucylglycyl-L-lysyl-L-valyl-L-leucyl-L-alanyl-L-histidyl-, 6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
| Molecular Formula | C85H155N23O19S |
|---|---|
| Molecular Weight | 1834.16 g/mol |
| LogP | -3.363 |
| Topological Polar Surface Area | 681.91 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 64 |
| Exact Mass | 1834.159 |
| Heavy Atoms | 128 |
| Complexity | 3688.5176 |
Chemical Identifiers
| CAS Number | 95648-97-8 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)C)C(=O)N)N |
Product Overview
Bombolitin I (CAS 95648-97-8), with molecular formula C85H155N23O19S and molecular weight 1834.16 g/mol. IUPAC: 6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide.
Chemical Property Profile of Bombolitin I
Property Insights of Bombolitin I
The XLogP value of -3.363 indicates that Bombolitin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 681.91 Ų indicates high polarity, suggesting Bombolitin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bombolitin I has 24 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bombolitin I?
The CAS number of Bombolitin I is 95648-97-8.
What is the molecular formula of Bombolitin I?
The molecular formula of Bombolitin I is C85H155N23O19S.
What is the molecular weight of Bombolitin I?
The molecular weight of Bombolitin I is 1834.16 g/mol.
Where can I buy Bombolitin I?
You can request a quote for Bombolitin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bombolitin I?
Yes, KEHONG BIO provides custom synthesis services for Bombolitin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.