![1OH-2BocNH-3PhPr [20]paracyclophane deriv. structure](/static/products/1809/180968-37-0.webp)
1OH-2BocNH-3PhPr [20]paracyclophane deriv.
TL;DR: 1OH-2BocNH-3PhPr [20]paracyclophane deriv. (CAS 180968-37-0) is a chemical compound with molecular formula C36H54N4O9 and molecular weight 686.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1R,2S)-1-[(16S,19R)-15,18-dioxo-16-propan-2-yl-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
Also Known As: 1OH-2BocNH-3PhPr [20]paracyclophane deriv., (1'S,2'S,15S,18R)-18-(2'-(((1,1-Dimethylethoxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-15-(1-methylethyl)-13,16,19-triaza-1,4,7,10-tetraoxa-14,17-dioxo(20)paracyclophane, (1'S,2'S,15S,18R)-18-[2'-[[(1,1-Dimethylethoxy)carbonyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-15-(1-methylethyl)-13,16,19-triaza-1,4,7,10-tetraoxa-14,17-dioxo[20]paracyclophane, tert-Butyl {(1R,2S)-1-[(16S,19R)-15,18-dioxo-16-(propan-2-yl)-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl}carbamate, tert-butyl N-[(1R,2S)-1-[(4R,7S)-5,8-dioxo-7-propan-2-yl-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
| Molecular Formula | C36H54N4O9 |
|---|---|
| Molecular Weight | 686.39 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 686.3891 |
| Heavy Atoms | 49 |
| Complexity | 965.0 |
Chemical Identifiers
| CAS Number | 180968-37-0 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)NCCOCCOCCOCCOC2=CC=C(CN[C@@H](C(=O)N1)[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C=C2 |
| InChIKey | HGRKOLDVMGOTDN-GASGPIRDSA-N |
Product Overview
1OH-2BocNH-3PhPr [20]paracyclophane deriv. (CAS 180968-37-0), with molecular formula C36H54N4O9 and molecular weight 686.39 g/mol. IUPAC: tert-butyl N-[(1R,2S)-1-[(16S,19R)-15,18-dioxo-16-propan-2-yl-2,5,8,11-tetraoxa-14,17,20-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-19-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of 1OH-2BocNH-3PhPr [20]paracyclophane deriv.
Property Insights of 1OH-2BocNH-3PhPr [20]paracyclophane deriv.
The XLogP value of 3.3 indicates that 1OH-2BocNH-3PhPr [20]paracyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 1OH-2BocNH-3PhPr [20]paracyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2BocNH-3PhPr [20]paracyclophane deriv. has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1OH-2BocNH-3PhPr [20]paracyclophane deriv.?
The CAS number of 1OH-2BocNH-3PhPr [20]paracyclophane deriv. is 180968-37-0.
What is the molecular formula of 1OH-2BocNH-3PhPr [20]paracyclophane deriv.?
The molecular formula of 1OH-2BocNH-3PhPr [20]paracyclophane deriv. is C36H54N4O9.
What is the molecular weight of 1OH-2BocNH-3PhPr [20]paracyclophane deriv.?
The molecular weight of 1OH-2BocNH-3PhPr [20]paracyclophane deriv. is 686.39 g/mol.
Where can I buy 1OH-2BocNH-3PhPr [20]paracyclophane deriv.?
You can request a quote for 1OH-2BocNH-3PhPr [20]paracyclophane deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1OH-2BocNH-3PhPr [20]paracyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2BocNH-3PhPr [20]paracyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.