![1OH-2BocNH-3PhPr [13]Metacyclophane deriv. structure](/static/products/1809/180968-40-5.webp)
1OH-2BocNH-3PhPr [13]Metacyclophane deriv.
TL;DR: 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. (CAS 180968-40-5) is a chemical compound with molecular formula C32H46N4O6 and molecular weight 582.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1R,2S)-1-[(9S,12R)-8,11-dioxo-9-propan-2-yl-2-oxa-7,10,13-triazabicyclo[13.3.1]nonadeca-1(18),15(19),16-trien-12-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
Also Known As: 1OH-2BocNH-3PhPr [13]Metacyclophane deriv., (1'S,2'S,8S,11R)-11-(2'-(((1,1-Dimethylethoxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)metacyclophane, Tert-butyl N-[(1R,2S)-1-[(9S,12R)-8,11-dioxo-9-propan-2-yl-2-oxa-7,10,13-triazabicyclo[13.3.1]nonadeca-1(18),15(19),16-trien-12-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate, (1'S,2'S,8S,11R)-11-[2'-[[(1,1-Dimethylethoxy)carbonyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]metacyclophane, tert-Butyl {(1R,2S)-1-[(9S,12R)-8,11-dioxo-9-(propan-2-yl)-2-oxa-7,10,13-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-12-yl]-1-hydroxy-3-phenylpropan-2-yl}carbamate
| Molecular Formula | C32H46N4O6 |
|---|---|
| Molecular Weight | 582.34 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.34174 |
| Heavy Atoms | 42 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 180968-40-5 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)NCCCCOC2=CC=CC(=C2)CN[C@@H](C(=O)N1)[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O |
| InChIKey | KECRHHMVDCUMCW-YVHASNINSA-N |
Product Overview
1OH-2BocNH-3PhPr [13]Metacyclophane deriv. (CAS 180968-40-5), with molecular formula C32H46N4O6 and molecular weight 582.34 g/mol. IUPAC: tert-butyl N-[(1R,2S)-1-[(9S,12R)-8,11-dioxo-9-propan-2-yl-2-oxa-7,10,13-triazabicyclo[13.3.1]nonadeca-1(18),15(19),16-trien-12-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.
Property Insights of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.
The XLogP value of 4.5 indicates that 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.. Following Lipinski's Rule of Five, 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. has 5 hydrogen bond donor(s) and 7 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 [13]Metacyclophane deriv.?
The CAS number of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. is 180968-40-5.
What is the molecular formula of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.?
The molecular formula of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. is C32H46N4O6.
What is the molecular weight of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.?
The molecular weight of 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. is 582.34 g/mol.
Where can I buy 1OH-2BocNH-3PhPr [13]Metacyclophane deriv.?
You can request a quote for 1OH-2BocNH-3PhPr [13]Metacyclophane 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 [13]Metacyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2BocNH-3PhPr [13]Metacyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.