BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe
TL;DR: BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe (CAS 127231-53-2) is a chemical compound with molecular formula C41H67N7O12 and molecular weight 849.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
Also Known As: BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe, Boc-Ser-Leu-Asn-AHPPA-Ile-Val-OMe, BOCSerLeuAsnPhe[CHOHCH2CO]IleValOMe, L-Valine, N-(N-(2,4,5-trideoxy-4-((N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-leucyl)-L-asparaginyl)amino)-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester, (N-(tert-ButyloxycarbonylSerLeuAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)IleValine methyl ester
| Molecular Formula | C41H67N7O12 |
|---|---|
| Molecular Weight | 849.48 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Exact Mass | 849.48474 |
| Heavy Atoms | 60 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 127231-53-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)O |
| InChIKey | RZTOBLXFOIFPNA-CWIYOQQCSA-N |
Product Overview
BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe (CAS 127231-53-2), with molecular formula C41H67N7O12 and molecular weight 849.48 g/mol. IUPAC: methyl (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe
Property Insights of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe. The TPSA of 294.0 Ų indicates high polarity, suggesting BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The CAS number of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe is 127231-53-2.
What is the molecular formula of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The molecular formula of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe is C41H67N7O12.
What is the molecular weight of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The molecular weight of BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe is 849.48 g/mol.
Where can I buy BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
You can request a quote for BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
Yes, KEHONG BIO provides custom synthesis services for BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.