N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
TL;DR: N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline (CAS 134447-97-5) is a chemical compound with molecular formula C17H26N2O7 and molecular weight 370.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Also Known As: EtO-tES-Ile-Pro-OH, CA 030, epoxysuccinyl derivative CA030, EtO-(2S,3S)-tEps-Ile-Pro-OH, N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
| Molecular Formula | C17H26N2O7 |
|---|---|
| Molecular Weight | 370.17 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.174 |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 134447-97-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)OCC |
| InChIKey | RFNNDNGXWCBNGK-VLJOUNFMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline (CAS 134447-97-5), with molecular formula C17H26N2O7 and molecular weight 370.17 g/mol. IUPAC: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
Property Insights of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline. Following Lipinski's Rule of Five, N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline?
The CAS number of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline is 134447-97-5.
What is the molecular formula of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline?
The molecular formula of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline is C17H26N2O7.
What is the molecular weight of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline?
The molecular weight of N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline is 370.17 g/mol.
Where can I buy N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline?
You can request a quote for N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.