t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine
TL;DR: t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine (CAS 14967-86-3) is a chemical compound with molecular formula C20H32FN3O10 and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Also Known As: Boc-3F-glu-glu-val, t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine, n-(tert-butoxycarbonyl)-3-fluoro-, A-glutamyl-, A-glutamylvaline
| Molecular Formula | C20H32FN3O10 |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 493.20718 |
| Heavy Atoms | 34 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 14967-86-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(CC(=O)O)F)NC(=O)OC(C)(C)C |
| InChIKey | WMXSCEWEQNQDLH-UHFFFAOYSA-N |
Product Overview
t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine (CAS 14967-86-3), with molecular formula C20H32FN3O10 and molecular weight 493.21 g/mol. IUPAC: 5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
Chemical Property Profile of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine
Property Insights of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine. The TPSA of 208.0 Ų indicates high polarity, suggesting t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine?
The CAS number of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine is 14967-86-3.
What is the molecular formula of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine?
The molecular formula of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine is C20H32FN3O10.
What is the molecular weight of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine?
The molecular weight of t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine is 493.21 g/mol.
Where can I buy t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine?
You can request a quote for t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine?
Yes, KEHONG BIO provides custom synthesis services for t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.