AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe
TL;DR: AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe (CAS 127231-54-3) is a chemical compound with molecular formula C38H61N7O11 and molecular weight 791.44 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)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
Also Known As: AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe, AcSerLeuAsnPhe[CHOHCH2CO]IleValOMe, L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester, (N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)IleValine methyl ester, [N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl]IleValine methyl ester
| Molecular Formula | C38H61N7O11 |
|---|---|
| Molecular Weight | 791.44 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 791.44293 |
| Heavy Atoms | 56 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 127231-54-3 |
|---|---|
| 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)C)O |
| InChIKey | GGZFLNUBVIMAIO-WJPNVUMISA-N |
Product Overview
AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe (CAS 127231-54-3), with molecular formula C38H61N7O11 and molecular weight 791.44 g/mol. IUPAC: methyl (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe
Property Insights of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe. The TPSA of 284.0 Ų indicates high polarity, suggesting AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The CAS number of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe is 127231-54-3.
What is the molecular formula of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The molecular formula of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe is C38H61N7O11.
What is the molecular weight of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
The molecular weight of AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe is 791.44 g/mol.
Where can I buy AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
You can request a quote for AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe?
Yes, KEHONG BIO provides custom synthesis services for AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.