![A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide structure](/static/products/6288/6288-22-8.webp)
A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide
TL;DR: A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide (CAS 6288-22-8) is a chemical compound with molecular formula C29H51I2N9O4 and molecular weight 843.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
Also Known As: A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide, 2-Amino-5-((amino(imino)methyl)amino)-N-(15-(4-hydroxy-3,5-diiodobenzyl)-14,17-dioxo-4,9,13,16-tetraazaicos-1-yl)pentanamide trifluoroacetate, 2-amino-N-(3-{[4-({3-[2-butanamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]propyl}amino)butyl]amino}propyl)-5-carbamimidamidopentanamide, 2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-guanidino-pentanamide, 2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
| Molecular Formula | C29H51I2N9O4 |
|---|---|
| Molecular Weight | 843.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 843.21533 |
| Heavy Atoms | 44 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 6288-22-8 |
|---|---|
| SMILES | CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N |
| InChIKey | OAAQEYQIFYXRKL-UHFFFAOYSA-N |
Product Overview
A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide (CAS 6288-22-8), with molecular formula C29H51I2N9O4 and molecular weight 843.22 g/mol. IUPAC: 2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide.
Chemical Property Profile of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide
Property Insights of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide. The TPSA of 222.0 Ų indicates high polarity, suggesting A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide has 9 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide?
The CAS number of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide is 6288-22-8.
What is the molecular formula of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide?
The molecular formula of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide is C29H51I2N9O4.
What is the molecular weight of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide?
The molecular weight of A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide is 843.22 g/mol.
Where can I buy A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide?
You can request a quote for A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide?
Yes, KEHONG BIO provides custom synthesis services for A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.