Boc-CH2Ph-Ile-AMBI
TL;DR: Boc-CH2Ph-Ile-AMBI (CAS 126409-81-2) is a chemical compound with molecular formula C38H49N5O5 and molecular weight 655.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-6-[[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: Boc-CH2Ph-Ile-AMBI, Hydroxyethylene deriv. 12, Carbamic acid, (5-((1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methylbutyl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(1R*,2R*)))-, 6-Phenyl-5-(N-t-butyloxycarbonylamino)-4-hydroxy-2-benzyl-1-((2-(aminomethyl)benzimidazole)-isoleucyl)-hexanone, Carbamic acid, [(1S,2S,4R)-5-[[(1S,2S)-1-[[(1H-benzimidazol-2-ylmethyl)amino]carbonyl]-2-methylbutyl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester
| Molecular Formula | C38H49N5O5 |
|---|---|
| Molecular Weight | 655.37 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 655.37335 |
| Heavy Atoms | 48 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 126409-81-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O |
| InChIKey | BINCYFHKHSPQAO-QFWGAZQRSA-N |
Product Overview
Boc-CH2Ph-Ile-AMBI (CAS 126409-81-2), with molecular formula C38H49N5O5 and molecular weight 655.37 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-6-[[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate.
Chemical Property Profile of Boc-CH2Ph-Ile-AMBI
Property Insights of Boc-CH2Ph-Ile-AMBI
The XLogP value of 6.1 indicates that Boc-CH2Ph-Ile-AMBI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Boc-CH2Ph-Ile-AMBI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-CH2Ph-Ile-AMBI has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boc-CH2Ph-Ile-AMBI?
The CAS number of Boc-CH2Ph-Ile-AMBI is 126409-81-2.
What is the molecular formula of Boc-CH2Ph-Ile-AMBI?
The molecular formula of Boc-CH2Ph-Ile-AMBI is C38H49N5O5.
What is the molecular weight of Boc-CH2Ph-Ile-AMBI?
The molecular weight of Boc-CH2Ph-Ile-AMBI is 655.37 g/mol.
Where can I buy Boc-CH2Ph-Ile-AMBI?
You can request a quote for Boc-CH2Ph-Ile-AMBI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-CH2Ph-Ile-AMBI?
Yes, KEHONG BIO provides custom synthesis services for Boc-CH2Ph-Ile-AMBI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.