甲硫氨酰亮氨酰苯丙氨酸醋酸盐
TL;DR: 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 (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醋酸盐
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醋酸盐 (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醋酸盐
Property Insights of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐
The XLogP value of -1.0 indicates that 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 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醋酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 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 甲硫氨酰亮氨酰苯丙氨酸醋酸盐?
The CAS number of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 is 59881-08-2.
What is the molecular formula of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐?
The molecular formula of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 is C20H31N3O4S.
What is the molecular weight of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐?
The molecular weight of 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 is 409.20 g/mol.
Where can I buy 甲硫氨酰亮氨酰苯丙氨酸醋酸盐?
You can request a quote for 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲硫氨酰亮氨酰苯丙氨酸醋酸盐?
Yes, KEHONG BIO provides custom synthesis services for 甲硫氨酰亮氨酰苯丙氨酸醋酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.