AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe
TL;DR: AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe (CAS 127231-56-5) is a chemical compound with molecular formula C36H56N8O12 and molecular weight 792.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Also Known As: AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe, AcSerGlnAsnPhe[CHOHCH2CO]ValValOMe, L-Valine, N-(N-(4-((N2-(N2-(N-acetyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-valyl)-, methyl ester, (N-(AcetylSerGlnAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)ValValine methyl ester, [N-(AcetylSerGlnAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl]ValValine methyl ester
| Molecular Formula | C36H56N8O12 |
|---|---|
| Molecular Weight | 792.40 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 328.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Exact Mass | 792.4018 |
| Heavy Atoms | 56 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 127231-56-5 |
|---|---|
| SMILES | CC(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](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)C)O |
| InChIKey | HYESCYZJIQCTEL-LXTPJMTPSA-N |
Product Overview
AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe (CAS 127231-56-5), with molecular formula C36H56N8O12 and molecular weight 792.40 g/mol. IUPAC: methyl (2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe
Property Insights of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe
The XLogP value of -2.3 indicates that AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe has 10 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 AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe?
The CAS number of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe is 127231-56-5.
What is the molecular formula of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe?
The molecular formula of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe is C36H56N8O12.
What is the molecular weight of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe?
The molecular weight of AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe is 792.40 g/mol.
Where can I buy AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe?
You can request a quote for AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe?
Yes, KEHONG BIO provides custom synthesis services for AcSerGlnAsnPhe(CHOHCH2CO)ValValOMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.