BAVAO
TL;DR: BAVAO (CAS 106777-22-4) is a chemical compound with molecular formula C51H92N10O13 and molecular weight 1052.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]butanoyl]amino]propanoate
Also Known As: BAVAO, Boc-aib-val-aib-aib-val-val-val-aib-val-aib-ome, methyl 2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]butanoyl]amino]propanoate, methyl n-(tert-butoxycarbonyl)-2-methylalanyl-l-valyl-2-methylalanyl-2-methylalanyl-l-valyl-l-valyl-l-valyl-2-methylalanyl-l-valyl-2-methylalaninate, tert-butyloxycarbonyl-aminoisobutyryl-valyl-aminoisobutyryl-aminoisobutyryl-valyl-valyl-valyl-aminoi
| Molecular Formula | C51H92N10O13 |
|---|---|
| Molecular Weight | 1052.68 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 28 |
| Exact Mass | 1052.6846 |
| Heavy Atoms | 74 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 106777-22-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C |
| InChIKey | YDLOIAXXVVOSFD-LJADHVKFSA-N |
Product Overview
BAVAO (CAS 106777-22-4), with molecular formula C51H92N10O13 and molecular weight 1052.68 g/mol. IUPAC: methyl 2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[2-methyl-2-[[(2S)-3-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]propanoyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]butanoyl]amino]propanoate.
Chemical Property Profile of BAVAO
Property Insights of BAVAO
The XLogP value of 4.7 indicates that BAVAO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 327.0 Ų indicates high polarity, suggesting BAVAO may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAVAO has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAVAO?
The CAS number of BAVAO is 106777-22-4.
What is the molecular formula of BAVAO?
The molecular formula of BAVAO is C51H92N10O13.
What is the molecular weight of BAVAO?
The molecular weight of BAVAO is 1052.68 g/mol.
Where can I buy BAVAO?
You can request a quote for BAVAO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAVAO?
Yes, KEHONG BIO provides custom synthesis services for BAVAO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.