5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane
TL;DR: 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane (CAS 1634-12-4) is a chemical compound with molecular formula C36H52N6O6 and molecular weight 664.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]amino]carbamate
Also Known As: 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane, tert-butyl 2-benzyl-2-[(2s,3s)-2-hydroxy-3-{[n-(methyl{[2-(1-methylethyl)-1,3-oxazol-4-yl]methyl}carbamoyl)-l-valyl]amino}-4-phenylbutyl]hydrazinecarboxylate, (2S)-N-[(2S,3S)-4-{1-Benzyl-2-[tert-butoxy(hydroxy)methylidene]hydrazin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acid, (5S,6S,9S)-tert-Butyl 3,6-dibenzyl-5-hydroxy-9-isopropyl-13-(2-isopropyloxazol-4-yl)-12-methyl-8,11-dioxo-2,3,7,10,12-pentaazatridecan-1-oate, N-(4-{1-Benzyl-2-[tert-butoxy(hydroxy)methylidene]hydrazinyl}-3-hydroxy-1-phenylbutan-2-yl)-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acid
| Molecular Formula | C36H52N6O6 |
|---|---|
| Molecular Weight | 664.39 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 664.39484 |
| Heavy Atoms | 48 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 1634-12-4 |
|---|---|
| SMILES | CC(C)C1=NC(=CO1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O |
| InChIKey | CPHYYBIFGVJFHB-CHQNGUEUSA-N |
Product Overview
5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane (CAS 1634-12-4), with molecular formula C36H52N6O6 and molecular weight 664.39 g/mol. IUPAC: tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]amino]carbamate.
Chemical Property Profile of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane
Property Insights of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane
The XLogP value of 5.2 indicates that 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane has 4 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 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane?
The CAS number of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane is 1634-12-4.
What is the molecular formula of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane?
The molecular formula of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane is C36H52N6O6.
What is the molecular weight of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane?
The molecular weight of 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane is 664.39 g/mol.
Where can I buy 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane?
You can request a quote for 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-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-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane?
Yes, KEHONG BIO provides custom synthesis services for 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.