methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol
TL;DR: methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol (CAS 94242-92-9) is a chemical compound with molecular formula C26H45BN4O8 and molecular weight 552.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
Also Known As: Boroval, AAPbV, Meosuc-ala-ala-pro-boroval-pinacol, Methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol, methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
| Molecular Formula | C26H45BN4O8 |
|---|---|
| Molecular Weight | 552.33 g/mol |
| LogP | 0.7122 |
| Topological Polar Surface Area | 152.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 552.33307 |
| Heavy Atoms | 39 |
| Complexity | 924.91833 |
Chemical Identifiers
| CAS Number | 94242-92-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C(C(C)C)N2CCC[C@H]2C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC |
Product Overview
methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol (CAS 94242-92-9), with molecular formula C26H45BN4O8 and molecular weight 552.33 g/mol. IUPAC: methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate.
Chemical Property Profile of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol
Property Insights of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol
The XLogP value of 0.7122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol. The TPSA of 152.37 Ų indicates high polarity, suggesting methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol?
The CAS number of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol is 94242-92-9.
What is the molecular formula of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol?
The molecular formula of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol is C26H45BN4O8.
What is the molecular weight of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol?
The molecular weight of methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol is 552.33 g/mol.
Where can I buy methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol?
You can request a quote for methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol?
Yes, KEHONG BIO provides custom synthesis services for methyl-O-succinyl-alanyl-alanyl-prolyl-borovaline-pinacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.