Aza-Dipeptide analogue
TL;DR: Aza-Dipeptide analogue (CAS 24442-45-3) is a chemical compound with molecular formula C38H51N5O7 and molecular weight 689.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Aza-Dipeptide analogue, J1.006.708A, methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate, 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-((1,1'-biphenyl)-4-ylmethyl)-12-(1,1-dimethylethyl)-8-hydroxy-3-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-, n-{(2s,3s)-4-[1-(biphenyl-4-ylmethyl)-2-{(2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}hydrazinyl]-3-hydroxy-1-phenylbutan-2-yl}-n2-(methoxycarbonyl)-3-methyl-l-valinamide
| Molecular Formula | C38H51N5O7 |
|---|---|
| Molecular Weight | 689.38 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 689.37885 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 24442-45-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)C2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| InChIKey | DXYWQVONJOEGHT-ZWDYZTTJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aza-Dipeptide analogue (CAS 24442-45-3), with molecular formula C38H51N5O7 and molecular weight 689.38 g/mol. IUPAC: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Aza-Dipeptide analogue
Property Insights of Aza-Dipeptide analogue
The XLogP value of 6.2 indicates that Aza-Dipeptide analogue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Aza-Dipeptide analogue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aza-Dipeptide analogue has 5 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 Aza-Dipeptide analogue?
The CAS number of Aza-Dipeptide analogue is 24442-45-3.
What is the molecular formula of Aza-Dipeptide analogue?
The molecular formula of Aza-Dipeptide analogue is C38H51N5O7.
What is the molecular weight of Aza-Dipeptide analogue?
The molecular weight of Aza-Dipeptide analogue is 689.38 g/mol.
Where can I buy Aza-Dipeptide analogue?
You can request a quote for Aza-Dipeptide analogue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aza-Dipeptide analogue?
Yes, KEHONG BIO provides custom synthesis services for Aza-Dipeptide analogue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.