Benzoyl-L-citrulline methyl ester
TL;DR: Benzoyl-L-citrulline methyl ester (CAS 14325-36-1) is a chemical compound with molecular formula C14H19N3O4 and molecular weight 293.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-benzamido-5-(carbamoylamino)pentanoate
Also Known As: Bz-Cit-OMe, Benzoyl-L-citrulline methyl ester, Bz-Orn(carbamoyl)-OMe, Bz-L-Cit-OMe, (S)-Methyl 2-benzamido-5-ureidopentanoate
Technical Specifications
| Molecular Formula | C14H19N3O4 |
| Molecular Weight | 293.13754 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.13754 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | COC(=O)[C@H](CCCNC(=O)N)NC(=O)C1=CC=CC=C1 |
| InChIKey | ARLRYYLMUJSMGC-NSHDSACASA-N |
Chemical Property Profile of Benzoyl-L-citrulline methyl ester
Property Insights of Benzoyl-L-citrulline methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoyl-L-citrulline methyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyl-L-citrulline methyl ester. Following Lipinski's Rule of Five, Benzoyl-L-citrulline methyl ester has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoyl-L-citrulline methyl ester?
The CAS number of Benzoyl-L-citrulline methyl ester is 14325-36-1.
What is the molecular formula of Benzoyl-L-citrulline methyl ester?
The molecular formula of Benzoyl-L-citrulline methyl ester is C14H19N3O4.
What is the molecular weight of Benzoyl-L-citrulline methyl ester?
The molecular weight of Benzoyl-L-citrulline methyl ester is 293.13754 g/mol.
Where can I buy Benzoyl-L-citrulline methyl ester?
You can request a quote for Benzoyl-L-citrulline methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoyl-L-citrulline methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoyl-L-citrulline methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.