TL;DR: BzOCValPhe(diCHOH(RR))PheValBzOC (CAS 129467-48-7) is a chemical compound with molecular formula C44H54N4O8 and molecular weight 766.39417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: BzOCValPhe(diCHOH(RR))PheValBzOC, A-75925, A 75925, BzOCValPhe[diCHOH(RR)]PheValBzOC, benzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C44H54N4O8 |
| Molecular Weight | 766.39417 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 766.39417 Da |
| Heavy Atoms | 56 |
| Complexity | 1090.0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | TZRRVSCDIPHXHN-RRUVMKMCSA-N |
The XLogP value of 6.9 indicates that BzOCValPhe(diCHOH(RR))PheValBzOC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting BzOCValPhe(diCHOH(RR))PheValBzOC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzOCValPhe(diCHOH(RR))PheValBzOC has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BzOCValPhe(diCHOH(RR))PheValBzOC is 129467-48-7.
The molecular formula of BzOCValPhe(diCHOH(RR))PheValBzOC is C44H54N4O8.
The molecular weight of BzOCValPhe(diCHOH(RR))PheValBzOC is 766.39417 g/mol.
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