AcSerLeuAsnPhe(CHOHCH2)ProIleOMe
TL;DR: AcSerLeuAsnPhe(CHOHCH2)ProIleOMe (CAS 127231-45-2) is a chemical compound with molecular formula C37H59N7O10 and molecular weight 761.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
Also Known As: Hydroxyethylamine deriv., AcSerLeuAsnPhe(CHOHCH2)ProIleOMe, JG-365A, (N-(AcSerLeuAsn)-4-phenyl-3-amino-2-hydroxybutyl)ProIsoleucine methyl ester, L-Isoleucine,1-[(2S,3S)-3-[(N-acetyl-L-seryl-L-leucyl-L-asparaginyl)amino]-2-hydroxy-4-phenylbutyl]-L-prolyl-,methyl ester (9CI)
| Molecular Formula | C37H59N7O10 |
|---|---|
| Molecular Weight | 761.43 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 761.4323 |
| Heavy Atoms | 54 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 127231-45-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O |
| InChIKey | OZXURBBJHFLDSZ-VLDKAQFRSA-N |
Product Overview
AcSerLeuAsnPhe(CHOHCH2)ProIleOMe (CAS 127231-45-2), with molecular formula C37H59N7O10 and molecular weight 761.43 g/mol. IUPAC: methyl (2S,3S)-2-[[(2S)-1-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate.
Chemical Property Profile of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe
Property Insights of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcSerLeuAsnPhe(CHOHCH2)ProIleOMe. The TPSA of 259.0 Ų indicates high polarity, suggesting AcSerLeuAsnPhe(CHOHCH2)ProIleOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcSerLeuAsnPhe(CHOHCH2)ProIleOMe has 8 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(CHOHCH2)ProIleOMe?
The CAS number of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe is 127231-45-2.
What is the molecular formula of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe?
The molecular formula of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe is C37H59N7O10.
What is the molecular weight of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe?
The molecular weight of AcSerLeuAsnPhe(CHOHCH2)ProIleOMe is 761.43 g/mol.
Where can I buy AcSerLeuAsnPhe(CHOHCH2)ProIleOMe?
You can request a quote for AcSerLeuAsnPhe(CHOHCH2)ProIleOMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcSerLeuAsnPhe(CHOHCH2)ProIleOMe?
Yes, KEHONG BIO provides custom synthesis services for AcSerLeuAsnPhe(CHOHCH2)ProIleOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.