Phenylalanyl-prolyl-boroarginine
TL;DR: Phenylalanyl-prolyl-boroarginine (CAS 15528-31-1) is a chemical compound with molecular formula C19H31BN6O4 and molecular weight 418.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]carbamoyl]pyrrolidin-1-yl]-4-(diaminomethylideneamino)butyl]boronic acid
Also Known As: H-Phe-pro-boroarg-OH, Phenylalanyl-prolyl-boroarginine, [(1R)-1-[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]carbamoyl]pyrrolidin-1-yl]-4-(diaminomethylideneamino)butyl]boronic acid, 2-Amino-N-[1-(1-borono-4-carbamimidamidobutyl)prolyl]-3-phenylpropanimidic acid, (2R)-2-Amino-N-{1-[(1R)-1-borono-4-(carbamimidoylamino)butyl]-L-prolyl}-3-phenylpropanimidic acid
| Molecular Formula | C19H31BN6O4 |
|---|---|
| Molecular Weight | 418.25 g/mol |
| LogP | -1.9022 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 418.24997 |
| Heavy Atoms | 30 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 15528-31-1 |
|---|---|
| SMILES | B([C@H](CCCN=C(N)N)N1CCC[C@H]1C(=O)NC(=O)[C@@H](CC2=CC=CC=C2)N)(O)O |
| InChIKey | JYVOMTYLQGTUPQ-PMPSAXMXSA-N |
Product Overview
Phenylalanyl-prolyl-boroarginine (CAS 15528-31-1), with molecular formula C19H31BN6O4 and molecular weight 418.25 g/mol. IUPAC: [(1R)-1-[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]carbamoyl]pyrrolidin-1-yl]-4-(diaminomethylideneamino)butyl]boronic acid.
Chemical Property Profile of Phenylalanyl-prolyl-boroarginine
Property Insights of Phenylalanyl-prolyl-boroarginine
The XLogP value of -1.9022 indicates that Phenylalanyl-prolyl-boroarginine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Phenylalanyl-prolyl-boroarginine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenylalanyl-prolyl-boroarginine has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylalanyl-prolyl-boroarginine?
The CAS number of Phenylalanyl-prolyl-boroarginine is 15528-31-1.
What is the molecular formula of Phenylalanyl-prolyl-boroarginine?
The molecular formula of Phenylalanyl-prolyl-boroarginine is C19H31BN6O4.
What is the molecular weight of Phenylalanyl-prolyl-boroarginine?
The molecular weight of Phenylalanyl-prolyl-boroarginine is 418.25 g/mol.
Where can I buy Phenylalanyl-prolyl-boroarginine?
You can request a quote for Phenylalanyl-prolyl-boroarginine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanyl-prolyl-boroarginine?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanyl-prolyl-boroarginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.