![1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. structure](/static/products/1809/180968-23-4.webp)
1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.
TL;DR: 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. (CAS 180968-23-4) is a chemical compound with molecular formula C40H53N5O8 and molecular weight 731.39 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-[(10S,13R)-9,12-dioxo-10-propan-2-yl-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv., Carbamic acid, (1-(((2-hydroxy-2-(10-(1-methylethyl)-9,12-dioxo-2,5-dioxa-8,11,14-triazabicyclo(1431)eicosa-1(20),16,18-trien-13-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (10S-(10R*,13S*(1R*(R*),2S*)))-, (1'S,2'S,2""""S,9S,12R)-12-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo[14]metacyclophane, 1'S,2'S,2''''S,9S,12R)-12-(2''''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo(14)metacyclophane, Benzyl [(2S)-1-({(1R,2S)-1-[(10S,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(20),16,18-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C40H53N5O8 |
|---|---|
| Molecular Weight | 731.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 731.3894 |
| Heavy Atoms | 53 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 180968-23-4 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)NCCOCCOC2=CC=CC(=C2)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 |
| InChIKey | QCOTVEZNURNOOS-YQYWCZHNSA-N |
Product Overview
1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. (CAS 180968-23-4), with molecular formula C40H53N5O8 and molecular weight 731.39 g/mol. IUPAC: benzyl N-[(2S)-1-[[(1R,2S)-1-[(10S,13R)-9,12-dioxo-10-propan-2-yl-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.
Property Insights of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.
The XLogP value of 4.9 indicates that 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. has 6 hydrogen bond donor(s) and 9 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 [14]metacyclophane deriv.?
The CAS number of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. is 180968-23-4.
What is the molecular formula of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.?
The molecular formula of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. is C40H53N5O8.
What is the molecular weight of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.?
The molecular weight of 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. is 731.39 g/mol.
Where can I buy 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.?
You can request a quote for 1OH-2(Cbz-ValNH)3PhPr [14]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-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2(Cbz-ValNH)3PhPr [14]metacyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.