Ni-(S)-BPB-GLy
TL;DR: Ni-(S)-BPB-GLy (CAS 96293-19-5) is a chemical compound with molecular formula C27H26N3NiO3- and molecular weight 498.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(carboxymethyl)-C-phenylcarbonimidoyl]phenyl]azanide;nickel
Also Known As: Ni-(S)-BPB-GLy, W-3574, nickel (S)-phenyl-[o-(N-benzylprolyl)aminophenyl]methyleneaminoacetate, (S)-(O-(N-Benzylprolyl)amino)(phenyl) methyleneiminoacetate(2)-N,N',N''-Nickel(II)
| Molecular Formula | C27H26N3NiO3- |
|---|---|
| Molecular Weight | 498.13 g/mol |
| LogP | 4.8025 |
| Topological Polar Surface Area | 84.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.13275 |
| Heavy Atoms | 34 |
| Complexity | 1136.1268 |
Chemical Identifiers
| CAS Number | 96293-19-5 |
|---|---|
| SMILES | C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)[N-]C3=CC=CC=C3C(=NCC(=O)O)C4=CC=CC=C4.[Ni] |
Product Overview
Ni-(S)-BPB-GLy (CAS 96293-19-5), with molecular formula C27H26N3NiO3- and molecular weight 498.13 g/mol. IUPAC: [(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[N-(carboxymethyl)-C-phenylcarbonimidoyl]phenyl]azanide;nickel.
Chemical Property Profile of Ni-(S)-BPB-GLy
Property Insights of Ni-(S)-BPB-GLy
The XLogP value of 4.8025 indicates that Ni-(S)-BPB-GLy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Ni-(S)-BPB-GLy. Following Lipinski's Rule of Five, Ni-(S)-BPB-GLy has 1 hydrogen bond donor(s) and 4 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 Ni-(S)-BPB-GLy?
The CAS number of Ni-(S)-BPB-GLy is 96293-19-5.
What is the molecular formula of Ni-(S)-BPB-GLy?
The molecular formula of Ni-(S)-BPB-GLy is C27H26N3NiO3-.
What is the molecular weight of Ni-(S)-BPB-GLy?
The molecular weight of Ni-(S)-BPB-GLy is 498.13 g/mol.
Where can I buy Ni-(S)-BPB-GLy?
You can request a quote for Ni-(S)-BPB-GLy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ni-(S)-BPB-GLy?
Yes, KEHONG BIO provides custom synthesis services for Ni-(S)-BPB-GLy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.