![1OH-2BocNH-3PhPr [14]paracyclophane deriv. structure](/static/products/1809/180968-15-4.webp)
1OH-2BocNH-3PhPr [14]paracyclophane deriv.
TL;DR: 1OH-2BocNH-3PhPr [14]paracyclophane deriv. (CAS 180968-15-4) is a chemical compound with molecular formula C32H46N4O7 and molecular weight 598.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1R,2S)-1-[(10S,13R)-9,12-dioxo-10-propan-2-yl-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
Also Known As: 1OH-2BocNH-3PhPr [14]paracyclophane deriv., Carbamic acid, (2-hydroxy-2-(10-(1-methylethyl)-9,12-dioxo-2,5-dioxa-8,11,14-triazabicyclo(14.2.2)eicosa-16,18,19-trien-13-yl)-1-(phenylmethyl)ethyl)-, 1,1-dimethylethyl ester, (10S-(10R*,13S*(1R*,2S*)))-, (1'S,2'S,9S,12R)-12-(2'-(((1,1-Dimethylethoxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo(14)paracyclophane, (1'S,2'S,9S,12R)-12-[2'-[[(1,1-Dimethylethoxy)carbonyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]paracyclophane, (10S,13R)-10-Isopropyl-13-[(1R,2S)-1-hydroxy-2-[(tert-butyloxycarbonyl)amino]-3-phenylpropyl]-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-9,12-dione
| Molecular Formula | C32H46N4O7 |
|---|---|
| Molecular Weight | 598.34 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.3367 |
| Heavy Atoms | 43 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 180968-15-4 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)NCCOCCOC2=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 | KVGCZGXPZTZUIK-YVHASNINSA-N |
Product Overview
1OH-2BocNH-3PhPr [14]paracyclophane deriv. (CAS 180968-15-4), with molecular formula C32H46N4O7 and molecular weight 598.34 g/mol. IUPAC: tert-butyl N-[(1R,2S)-1-[(10S,13R)-9,12-dioxo-10-propan-2-yl-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of 1OH-2BocNH-3PhPr [14]paracyclophane deriv.
Property Insights of 1OH-2BocNH-3PhPr [14]paracyclophane deriv.
The XLogP value of 3.6 indicates that 1OH-2BocNH-3PhPr [14]paracyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 1OH-2BocNH-3PhPr [14]paracyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2BocNH-3PhPr [14]paracyclophane deriv. has 5 hydrogen bond donor(s) and 8 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 [14]paracyclophane deriv.?
The CAS number of 1OH-2BocNH-3PhPr [14]paracyclophane deriv. is 180968-15-4.
What is the molecular formula of 1OH-2BocNH-3PhPr [14]paracyclophane deriv.?
The molecular formula of 1OH-2BocNH-3PhPr [14]paracyclophane deriv. is C32H46N4O7.
What is the molecular weight of 1OH-2BocNH-3PhPr [14]paracyclophane deriv.?
The molecular weight of 1OH-2BocNH-3PhPr [14]paracyclophane deriv. is 598.34 g/mol.
Where can I buy 1OH-2BocNH-3PhPr [14]paracyclophane deriv.?
You can request a quote for 1OH-2BocNH-3PhPr [14]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 [14]paracyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2BocNH-3PhPr [14]paracyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.