![1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. structure](/static/products/1809/180967-88-8.webp)
1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.
TL;DR: 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. (CAS 180967-88-8) 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[14.2.2]icosa-1(18),16,19-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]paracyclophane deriv., (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-diaza-8,11-dioxo(14)paracyclophane, (10S,13R)-10-Isopropyl-13-[(1R,2S)-1-hydroxy-2-[[N-(benzyloxycarbonyl)-L-valyl]amino]-3-phenylpropyl]-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-9,12-dione, 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-diaza-8,11-dioxo[14]paracyclophane, Benzyl [(2S)-1-({(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}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 | 1120.0 |
Chemical Identifiers
| CAS Number | 180967-88-8 |
|---|---|
| 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)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O)C=C2 |
| InChIKey | FIQBSLXLTLJIQG-YQYWCZHNSA-N |
Product Overview
1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. (CAS 180967-88-8), 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[14.2.2]icosa-1(18),16,19-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]paracyclophane deriv.
Property Insights of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.
The XLogP value of 4.9 indicates that 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane 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]paracyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane 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]paracyclophane deriv.?
The CAS number of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. is 180967-88-8.
What is the molecular formula of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.?
The molecular formula of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. is C40H53N5O8.
What is the molecular weight of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.?
The molecular weight of 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. is 731.39 g/mol.
Where can I buy 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.?
You can request a quote for 1OH-2(Cbz-ValNH)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-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2(Cbz-ValNH)3PhPr [14]paracyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.