甲硫氨酰-亮氨酰-苯丙氨酸
TL;DR: 甲硫氨酰-亮氨酰-苯丙氨酸 (CAS 59881-08-2) is a chemical compound with molecular formula C20H31N3O4S and molecular weight 409.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲硫氨酰-亮氨酰-苯丙氨酸
2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Also Known As: Met-leu-phe, Met-Leu-Phe acetate salt, Formyl-Met-Leu-Phe-OH, Spectrum2_000522, Spectrum3_001835
| Molecular Formula | C20H31N3O4S |
|---|---|
| Molecular Weight | 409.20 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 409.20352 |
| Heavy Atoms | 28 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 59881-08-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)N |
| InChIKey | CHDYFPCQVUOJEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲硫氨酰-亮氨酰-苯丙氨酸 (CAS 59881-08-2), with molecular formula C20H31N3O4S and molecular weight 409.20 g/mol. IUPAC: 2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 甲硫氨酰-亮氨酰-苯丙氨酸
Property Insights of 甲硫氨酰-亮氨酰-苯丙氨酸
The XLogP value of -1.0 indicates that 甲硫氨酰-亮氨酰-苯丙氨酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 甲硫氨酰-亮氨酰-苯丙氨酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Met-Leu-Phe acetate salt has 4 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 Met-Leu-Phe acetate salt?
The CAS number of Met-Leu-Phe acetate salt is 59881-08-2.
What is the molecular formula of Met-Leu-Phe acetate salt?
The molecular formula of Met-Leu-Phe acetate salt is C20H31N3O4S.
What is the molecular weight of Met-Leu-Phe acetate salt?
The molecular weight of Met-Leu-Phe acetate salt is 409.20 g/mol.
Where can I buy Met-Leu-Phe acetate salt?
You can request a quote for Met-Leu-Phe acetate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Met-Leu-Phe acetate salt?
Yes, KEHONG BIO provides custom synthesis services for Met-Leu-Phe acetate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.