Boc-CH2Ph-Ile-NH-Bn
TL;DR: Boc-CH2Ph-Ile-NH-Bn (CAS 126409-47-0) is a chemical compound with molecular formula C37H49N3O5 and molecular weight 615.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-5-benzyl-6-[[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: Boc-CH2Ph-Ile-NH-Bn, Hydroxyethylene deriv. 10, Carbamic acid, (2-hydroxy-5-((2-methyl-1-(((phenylmethyl)amino)carbonyl)butyl)amino)-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-((N-benzyl)-isoleucylamide)-hexanone, N'-(Benzyl)-N-[5(S)-[(tert-butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]-L-isoleucine amide
| Molecular Formula | C37H49N3O5 |
|---|---|
| Molecular Weight | 615.37 g/mol |
| LogP | 5.5796 |
| Topological Polar Surface Area | 116.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 615.36725 |
| Heavy Atoms | 45 |
| Complexity | 1328.4281 |
Chemical Identifiers
| CAS Number | 126409-47-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O |
Product Overview
Boc-CH2Ph-Ile-NH-Bn (CAS 126409-47-0), with molecular formula C37H49N3O5 and molecular weight 615.37 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-5-benzyl-6-[[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate.
Chemical Property Profile of Boc-CH2Ph-Ile-NH-Bn
Property Insights of Boc-CH2Ph-Ile-NH-Bn
The XLogP value of 5.5796 indicates that Boc-CH2Ph-Ile-NH-Bn is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-CH2Ph-Ile-NH-Bn. Following Lipinski's Rule of Five, Boc-CH2Ph-Ile-NH-Bn has 4 hydrogen bond donor(s) and 5 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-NH-Bn?
The CAS number of Boc-CH2Ph-Ile-NH-Bn is 126409-47-0.
What is the molecular formula of Boc-CH2Ph-Ile-NH-Bn?
The molecular formula of Boc-CH2Ph-Ile-NH-Bn is C37H49N3O5.
What is the molecular weight of Boc-CH2Ph-Ile-NH-Bn?
The molecular weight of Boc-CH2Ph-Ile-NH-Bn is 615.37 g/mol.
Where can I buy Boc-CH2Ph-Ile-NH-Bn?
You can request a quote for Boc-CH2Ph-Ile-NH-Bn 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-NH-Bn?
Yes, KEHONG BIO provides custom synthesis services for Boc-CH2Ph-Ile-NH-Bn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.