N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
TL;DR: N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline (CAS 6041-33-4) is a chemical compound with molecular formula C22H32N4O7 and molecular weight 464.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Also Known As: N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline, 1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C22H32N4O7 |
|---|---|
| Molecular Weight | 464.23 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.2271 |
| Heavy Atoms | 33 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 6041-33-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)O)N)O |
| InChIKey | WZFYWDCIMKNSDK-UHFFFAOYSA-N |
Product Overview
N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline (CAS 6041-33-4), with molecular formula C22H32N4O7 and molecular weight 464.23 g/mol. IUPAC: 1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
Property Insights of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline. The TPSA of 182.0 Ų indicates high polarity, suggesting N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline?
The CAS number of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline is 6041-33-4.
What is the molecular formula of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline?
The molecular formula of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline is C22H32N4O7.
What is the molecular weight of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline?
The molecular weight of N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline is 464.23 g/mol.
Where can I buy N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline?
You can request a quote for N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.