5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
TL;DR: 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane (CAS 16352-73-1) is a chemical compound with molecular formula C35H49N5O8 and molecular weight 667.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yl-1,3-oxazol-4-yl)methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane, tert-butyl 2-(4-hydroxybenzyl)-2-[(2s,3s)-2-hydroxy-3-{[n-({[2-(1-methylethyl)-1,3-oxazol-4-yl]methoxy}carbonyl)-l-valyl]amino}-4-phenylbutyl]hydrazinecarboxylate, (2-isopropyloxazol-4-yl)methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[(tert-butoxycarbonylamino)-[(4-hydroxyphenyl)methyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate, (2-propan-2-yl-1,3-oxazol-4-yl)methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate, (2S)-N-[(2S,3S)-4-{2-[tert-Butoxy(hydroxy)methylidene]-1-[(4-hydroxyphenyl)methyl]hydrazin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]-2-[(hydroxy{[2-(propan-2-yl)-1,3-oxazol-4-yl]methoxy}methylidene)amino]-3-methylbutanimidic acid
| Molecular Formula | C35H49N5O8 |
|---|---|
| Molecular Weight | 667.36 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 667.3581 |
| Heavy Atoms | 48 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 16352-73-1 |
|---|---|
| SMILES | CC(C)C1=NC(=CO1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C)O |
| InChIKey | XJAHQSRTXRZFKG-DTXPUJKBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane (CAS 16352-73-1), with molecular formula C35H49N5O8 and molecular weight 667.36 g/mol. IUPAC: (2-propan-2-yl-1,3-oxazol-4-yl)methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
Property Insights of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane
The XLogP value of 5.2 indicates that 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane has 5 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 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane?
The CAS number of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane is 16352-73-1.
What is the molecular formula of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane?
The molecular formula of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane is C35H49N5O8.
What is the molecular weight of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane?
The molecular weight of 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane is 667.36 g/mol.
Where can I buy 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane?
You can request a quote for 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane?
Yes, KEHONG BIO provides custom synthesis services for 5S-(((2-Isopropyl-4-oxazolyl)methoxycarbonyl)valinyl)amino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1-(4-hydroxyphenyl)-6-phenyl-2-azahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.