t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16
TL;DR: t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 (CAS 130982-44-4) is a chemical compound with molecular formula C34H53BN6O6 and molecular weight 652.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2R)-1-[(2R)-2-carbamoyl-1-[4-(diaminomethylideneamino)-1-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]pyrrolidin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Boc-phe-pro-boroarg-OH, t-Butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16, (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-N-((1,1-Dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2-benzodioxaborol-2-yl)butyl)-L-prolinamide, tert-butyl N-[(2R)-1-[(2R)-2-carbamoyl-1-[4-(diaminomethylideneamino)-1-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]pyrrolidin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate, (2S)-2-[(2R)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-phenylpropanoyl]-1-{4-(carbamimidoylamino)-1-[(3aS,4R,6R,7aR)-3a,5,5-trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}pyrrolidine-2-carboximidic acid
| Molecular Formula | C34H53BN6O6 |
|---|---|
| Molecular Weight | 652.41 g/mol |
| LogP | 2.7011 |
| Topological Polar Surface Area | 184.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 652.412 |
| Heavy Atoms | 47 |
| Complexity | 1366.303 |
Chemical Identifiers
| CAS Number | 130982-44-4 |
|---|---|
| SMILES | B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)C(CCCN=C(N)N)N4CCC[C@@]4(C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)C(=O)N |
Product Overview
t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 (CAS 130982-44-4), with molecular formula C34H53BN6O6 and molecular weight 652.41 g/mol. IUPAC: tert-butyl N-[(2R)-1-[(2R)-2-carbamoyl-1-[4-(diaminomethylideneamino)-1-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]pyrrolidin-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16
Property Insights of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16
The XLogP value of 2.7011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16. The TPSA of 184.59 Ų indicates high polarity, suggesting t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 has 4 hydrogen bond donor(s) and 8 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-phenylalanyl-prolyl-boroarginine-C10H16?
The CAS number of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 is 130982-44-4.
What is the molecular formula of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16?
The molecular formula of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 is C34H53BN6O6.
What is the molecular weight of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16?
The molecular weight of t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 is 652.41 g/mol.
Where can I buy t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16?
You can request a quote for t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16?
Yes, KEHONG BIO provides custom synthesis services for t-butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.