![1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. structure](/static/products/1809/180968-31-4.webp)
1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.
TL;DR: 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. (CAS 180968-31-4) is a chemical compound with molecular formula C44H61N5O10 and molecular weight 819.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(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]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv., Carbamic acid, (1-(((2-hydroxy-2-(16-(1-methylethyl)-15,18-dioxo-2,5,8,11-tetraoxa-14,17,20-triazabicyclo(2022)hexacosa-22,24,25-trien-19-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (16S-(16R*,19S*(1R*(R*),2S*)))-, (1'S,2'S,15""""S,18R)-18-[2'-[[[(Benzyloxy)carbonyl]valyl]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,15''''S,18R)-18-(2'-((((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-15-(1-methylethyl)-13,16,19-triaza-1,4,7,10-tetraoxa-14,17-dioxo(20)paracyclophane, Benzyl [(2S)-1-({(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}amino)-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C44H61N5O10 |
|---|---|
| Molecular Weight | 819.44 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 819.44183 |
| Heavy Atoms | 59 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 180968-31-4 |
|---|---|
| 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)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O)C=C2 |
| InChIKey | LRKUSTGJXNLIKZ-PLXHNDKISA-N |
Product Overview
1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. (CAS 180968-31-4), with molecular formula C44H61N5O10 and molecular weight 819.44 g/mol. IUPAC: benzyl N-[(2S)-1-[[(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]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.
Property Insights of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.
The XLogP value of 4.6 indicates that 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.?
The CAS number of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. is 180968-31-4.
What is the molecular formula of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.?
The molecular formula of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. is C44H61N5O10.
What is the molecular weight of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.?
The molecular weight of 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. is 819.44 g/mol.
Where can I buy 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.?
You can request a quote for 1OH-2(Cbz-ValNH)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-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2(Cbz-ValNH)3PhPr [20]paracyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.