E 2078
TL;DR: E 2078 (CAS 103613-84-9) is a chemical compound with molecular formula C50H81N15O9 and molecular weight 1035.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
E 2078
(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-methylamino]pentanoyl]amino]-N-ethyl-4-methylpentanamide
Also Known As: E-2078, E 2078, HY-P4679, N-Me-Tyr-gly-gly-phe-leu-arg-N-Me-arg-leu-NH-C2H5, (N-Me-Tyr1,N-Me-Arg7,D-Leu-NHEt8)-Dynorphin A (1-8)
| Molecular Formula | C50H81N15O9 |
|---|---|
| Molecular Weight | 1035.63 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 33 |
| Exact Mass | 1035.6342 |
| Heavy Atoms | 74 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 103613-84-9 |
|---|---|
| SMILES | CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC |
| InChIKey | JENWDDCMEATQSR-ONSKYXJOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E 2078 (CAS 103613-84-9), with molecular formula C50H81N15O9 and molecular weight 1035.63 g/mol. IUPAC: (2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-methylamino]pentanoyl]amino]-N-ethyl-4-methylpentanamide.
Chemical Property Profile of E 2078
Property Insights of E 2078
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 2078. The TPSA of 385.0 Ų indicates high polarity, suggesting E 2078 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 2078 has 13 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E 2078?
The CAS number of E 2078 is 103613-84-9.
What is the molecular formula of E 2078?
The molecular formula of E 2078 is C50H81N15O9.
What is the molecular weight of E 2078?
The molecular weight of E 2078 is 1035.63 g/mol.
Where can I buy E 2078?
You can request a quote for E 2078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 2078?
Yes, KEHONG BIO provides custom synthesis services for E 2078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.