Aza-Dipeptide analogue
TL;DR: Aza-Dipeptide analogue (CAS 2444-21-5) 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-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-phenylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Aza-Dipeptide analogue, J1.006.707C, 2,5,6,10,13-Pentaazatetradecanedioic acid, 6-((1,1'-biphenyl)-4-ylmethyl)-3-(1,1-dimethylethyl)-8-hydroxy-12-(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]-3,3-dimethylbutanoyl}hydrazinyl]-3-hydroxy-1-phenylbutan-2-yl}-n2-(methoxycarbonyl)-l-valinamide, ((S)-1-{N''-Biphenyl-4-ylmethyl-N''-[(2S,3S)-2-hydroxy-3-((S)-2-methoxycarbonylamino-3-methyl-butyrylamino)-4-phenyl-butyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
| 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 | 2444-21-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| InChIKey | BYEWWQZDUPJZHX-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 2444-21-5), with molecular formula C38H51N5O7 and molecular weight 689.38 g/mol. IUPAC: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-phenylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-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 2444-21-5.
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.