ORE-1001 FREE ACID
TL;DR: ORE-1001 FREE ACID (CAS 1315337-39-3) is a chemical compound with molecular formula C19H23Cl2N3O4 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(1S)-1-carboxy-2-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
Also Known As: ORE-1001 FREE ACID, s8940, ((S)-1-Carboxy-2-(1-(3,5-dichlorobenzyl)-1H-imidazol-5-yl)ethyl)-L-leucine, SID:439578215, EC-000.2483
| Molecular Formula | C19H23Cl2N3O4 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.10657 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 1315337-39-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)N[C@@H](CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)O |
| InChIKey | NTCCRGGIJNDEAB-IRXDYDNUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ORE-1001 FREE ACID (CAS 1315337-39-3), with molecular formula C19H23Cl2N3O4 and molecular weight 427.11 g/mol. IUPAC: (2S)-2-[[(1S)-1-carboxy-2-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of ORE-1001 FREE ACID
Property Insights of ORE-1001 FREE ACID
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ORE-1001 FREE ACID. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ORE-1001 FREE ACID. Following Lipinski's Rule of Five, ORE-1001 FREE ACID has 3 hydrogen bond donor(s) and 6 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 ORE-1001 FREE ACID?
The CAS number of ORE-1001 FREE ACID is 1315337-39-3.
What is the molecular formula of ORE-1001 FREE ACID?
The molecular formula of ORE-1001 FREE ACID is C19H23Cl2N3O4.
What is the molecular weight of ORE-1001 FREE ACID?
The molecular weight of ORE-1001 FREE ACID is 427.11 g/mol.
Where can I buy ORE-1001 FREE ACID?
You can request a quote for ORE-1001 FREE ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ORE-1001 FREE ACID?
Yes, KEHONG BIO provides custom synthesis services for ORE-1001 FREE ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.