![2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide structure](/static/products/7225/7225-24-3.webp)
2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide
TL;DR: 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide (CAS 7225-24-3) is a chemical compound with molecular formula C54H81IN12O14 and molecular weight 1248.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-(4-iodoanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxo-2-(phenylmethoxycarbonylaminomethyl)pentan-2-yl]carbamate
Also Known As: 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide, tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-(4-iodoanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxo-2-(phenylmethoxycarbonylaminomethyl)pentan-2-yl]carbamate
| Molecular Formula | C54H81IN12O14 |
|---|---|
| Molecular Weight | 1248.50 g/mol |
| LogP | 1.3981 |
| Topological Polar Surface Area | 367.66 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 27 |
| Exact Mass | 1248.504 |
| Heavy Atoms | 81 |
| Complexity | 2579.9788 |
Chemical Identifiers
| CAS Number | 7225-24-3 |
|---|---|
| SMILES | CC(C)CC(CNC(=O)OCC1=CC=CC=C1)(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC2=CC=C(C=C2)I)NC(=O)OC(C)(C)C |
Product Overview
2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide (CAS 7225-24-3), with molecular formula C54H81IN12O14 and molecular weight 1248.50 g/mol. IUPAC: tert-butyl N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-(4-iodoanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxo-2-(phenylmethoxycarbonylaminomethyl)pentan-2-yl]carbamate.
Chemical Property Profile of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide
Property Insights of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide
The XLogP value of 1.3981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide. The TPSA of 367.66 Ų indicates high polarity, suggesting 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide?
The CAS number of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide is 7225-24-3.
What is the molecular formula of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide?
The molecular formula of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide is C54H81IN12O14.
What is the molecular weight of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide?
The molecular weight of 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide is 1248.50 g/mol.
Where can I buy 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide?
You can request a quote for 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(Benzyloxy)carbonyl]amino}methyl)-N-(tert-butoxycarbonyl)leucylalanylalanylalanylalanylalanylalanyl-2-methylalanylalanyl-N-(4-iodophenyl)alaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.