5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane
TL;DR: 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane (CAS 16347-60-7) is a chemical compound with molecular formula C37H44N6O7 and molecular weight 684.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-methoxyphenyl)methyl-(pyridin-3-ylmethoxycarbonylamino)amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane, pyridin-3-ylmethyl 2-[(2s,3s)-2-hydroxy-4-phenyl-3-({n-[(pyridin-2-ylmethoxy)carbonyl]-l-valyl}amino)butyl]-2-(4-methoxybenzyl)hydrazinecarboxylate, (2S)-N-[(2S,3S)-3-Hydroxy-4-(2-{hydroxy[(pyridin-3-yl)methoxy]methylidene}-1-[(4-methoxyphenyl)methyl]hydrazin-1-yl)-1-phenylbutan-2-yl]-2-({hydroxy[(pyridin-2-yl)methoxy]methylidene}amino)-3-methylbutanimidic acid, 2-pyridylmethyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[(4-methoxyphenyl)methyl-(3-pyridylmethoxycarbonylamino)amino]propyl]carbamoyl]-2-methyl-propyl]carbamate, N-[3-Hydroxy-4-(2-{hydroxy[(pyridin-3-yl)methoxy]methylidene}-1-[(4-methoxyphenyl)methyl]hydrazinyl)-1-phenylbutan-2-yl]-2-({hydroxy[(pyridin-2-yl)methoxy]methylidene}amino)-3-methylbutanimidic acid
| Molecular Formula | C37H44N6O7 |
|---|---|
| Molecular Weight | 684.33 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 684.32715 |
| Heavy Atoms | 50 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 16347-60-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)OC)NC(=O)OCC3=CN=CC=C3)O)NC(=O)OCC4=CC=CC=N4 |
| InChIKey | GUKAPVRDLSTKBU-AFEGWXKPSA-N |
Product Overview
5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane (CAS 16347-60-7), with molecular formula C37H44N6O7 and molecular weight 684.33 g/mol. IUPAC: pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-methoxyphenyl)methyl-(pyridin-3-ylmethoxycarbonylamino)amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane
Property Insights of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane
The XLogP value of 4.4 indicates that 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane has 4 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-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane?
The CAS number of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane is 16347-60-7.
What is the molecular formula of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane?
The molecular formula of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane is C37H44N6O7.
What is the molecular weight of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane?
The molecular weight of 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane is 684.33 g/mol.
Where can I buy 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane?
You can request a quote for 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-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-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane?
Yes, KEHONG BIO provides custom synthesis services for 5S-N-((2-Pyridinyl)methoxycarbonyl)-L-valinylamino-2-N-((3-pyridinyl)methoxycarbonyl)amino-4S-hydroxy-1-p-methoxyphenyl-6-phenyl-2-azahexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.