洛克他汀酸
TL;DR: 洛克他汀酸 (CAS 76684-89-4) is a chemical compound with molecular formula C15H26N2O5 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
洛克他汀酸
3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Also Known As: Loxistatin acid, Vismodegib, e-64c, E 64c, Loxistatin Acid (E-64C)
| Molecular Formula | C15H26N2O5 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.18417 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 76684-89-4 |
|---|---|
| SMILES | CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O |
| InChIKey | SCMSYZJDIQPSDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
洛克他汀酸 (CAS 76684-89-4), with molecular formula C15H26N2O5 and molecular weight 314.18 g/mol. IUPAC: 3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid.
Chemical Property Profile of 洛克他汀酸
Property Insights of 洛克他汀酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 洛克他汀酸. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 洛克他汀酸. Following Lipinski's Rule of Five, L-trans-Epoxysuccinyl-Leu-3-methylbutylamide has 3 hydrogen bond donor(s) and 5 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 L-trans-Epoxysuccinyl-Leu-3-methylbutylamide?
The CAS number of L-trans-Epoxysuccinyl-Leu-3-methylbutylamide is 76684-89-4.
What is the molecular formula of L-trans-Epoxysuccinyl-Leu-3-methylbutylamide?
The molecular formula of L-trans-Epoxysuccinyl-Leu-3-methylbutylamide is C15H26N2O5.
What is the molecular weight of L-trans-Epoxysuccinyl-Leu-3-methylbutylamide?
The molecular weight of L-trans-Epoxysuccinyl-Leu-3-methylbutylamide is 314.18 g/mol.
Where can I buy L-trans-Epoxysuccinyl-Leu-3-methylbutylamide?
You can request a quote for L-trans-Epoxysuccinyl-Leu-3-methylbutylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-trans-Epoxysuccinyl-Leu-3-methylbutylamide?
Yes, KEHONG BIO provides custom synthesis services for L-trans-Epoxysuccinyl-Leu-3-methylbutylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.