boro-LLL
TL;DR: boro-LLL (CAS 167698-68-2) is a chemical compound with molecular formula C25H42BN3O6 and molecular weight 491.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-3-methyl-1-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]butyl]boronic acid
Also Known As: boro-LLL, PS-III, Z-Leu-Leu-Leu-B(OH)2, Z-LLL-boronate, PS III
| Molecular Formula | C25H42BN3O6 |
|---|---|
| Molecular Weight | 491.32 g/mol |
| LogP | 2.4013 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 491.31668 |
| Heavy Atoms | 35 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 167698-68-2 |
|---|---|
| SMILES | B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)(O)O |
| InChIKey | MWKOOGAFELWOCD-FKBYEOEOSA-N |
Product Overview
boro-LLL (CAS 167698-68-2), with molecular formula C25H42BN3O6 and molecular weight 491.32 g/mol. IUPAC: [(1R)-3-methyl-1-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]butyl]boronic acid.
Chemical Property Profile of boro-LLL
Property Insights of boro-LLL
The XLogP value of 2.4013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for boro-LLL. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for boro-LLL. Following Lipinski's Rule of Five, boro-LLL has 5 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 boro-LLL?
The CAS number of boro-LLL is 167698-68-2.
What is the molecular formula of boro-LLL?
The molecular formula of boro-LLL is C25H42BN3O6.
What is the molecular weight of boro-LLL?
The molecular weight of boro-LLL is 491.32 g/mol.
Where can I buy boro-LLL?
You can request a quote for boro-LLL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for boro-LLL?
Yes, KEHONG BIO provides custom synthesis services for boro-LLL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.