![1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. structure](/static/products/1809/180968-38-1.webp)
1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.
TL;DR: 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. (CAS 180968-38-1) is a chemical compound with molecular formula C40H53N5O7 and molecular weight 715.39 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-[(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]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv., (1'S,2'S,8S,11R)-11-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)metacyclophane, (1'S,2'S,8S,11R)-11-(2"-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)metacyclophane, (1'S,2'S,8S,11R)-11-[2"-[[N-[(Benzyloxy)carbonyl]valyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo[13]metacyclophane, Benzyl [(2S)-1-({(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}amino)-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C40H53N5O7 |
|---|---|
| Molecular Weight | 715.39 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 715.3945 |
| Heavy Atoms | 52 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 180968-38-1 |
|---|---|
| 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)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O |
| InChIKey | CSURAROSZFOMBV-YQYWCZHNSA-N |
Product Overview
1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. (CAS 180968-38-1), with molecular formula C40H53N5O7 and molecular weight 715.39 g/mol. IUPAC: benzyl N-[(2S)-1-[[(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]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.
Property Insights of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.
The XLogP value of 5.7 indicates that 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. has 6 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-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.?
The CAS number of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. is 180968-38-1.
What is the molecular formula of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.?
The molecular formula of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. is C40H53N5O7.
What is the molecular weight of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.?
The molecular weight of 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. is 715.39 g/mol.
Where can I buy 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.?
You can request a quote for 1OH-2(Cbz-ValNH)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-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1OH-2(Cbz-ValNH)3PhPr [13]metacyclophane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.