![1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. structure](/static/products/1809/180968-39-2.webp)
1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.
TL;DR: 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. (CAS 180968-39-2) is a chemical compound with molecular formula C42H57N5O9 and molecular weight 775.42 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-[(13S,16R)-12,15-dioxo-13-propan-2-yl-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv., Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R*,16S*(1R*(R*),2S*)))-, (1'S,2'S,2""""S,11S,15R)-15-[2""""-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-12-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo[17]metacyclophane, (1'S,2'S,2''''S,11S,15R)-15-(2''''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-12-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo(17)metacyclophane, Benzyl [(2S)-1-({(1R,2S)-1-[(13S,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(23),19,21-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C42H57N5O9 |
|---|---|
| Molecular Weight | 775.42 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 775.41565 |
| Heavy Atoms | 56 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 180968-39-2 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)NCCOCCOCCOC2=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 | ZPJNIOPWFOKSJR-LOFFRUMASA-N |
Product Overview
1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. (CAS 180968-39-2), with molecular formula C42H57N5O9 and molecular weight 775.42 g/mol. IUPAC: benzyl N-[(2S)-1-[[(1R,2S)-1-[(13S,16R)-12,15-dioxo-13-propan-2-yl-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.
Property Insights of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.
The XLogP value of 4.7 indicates that 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. has 6 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-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.?
The CAS number of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. is 180968-39-2.
What is the molecular formula of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.?
The molecular formula of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. is C42H57N5O9.
What is the molecular weight of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.?
The molecular weight of 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. is 775.42 g/mol.
Where can I buy 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv.?
You can request a quote for 1OH-2(Cbz-ValNH)3PhPr [17]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 [17]metacyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2(Cbz-ValNH)3PhPr [17]metacyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.