Chemical Compound (C52H77N13O12S)
TL;DR: Chemical Compound (C52H77N13O12S) (CAS 256952-63-3) is a chemical compound with molecular formula C52H77N13O12S and molecular weight 1107.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
| Molecular Formula | C52H77N13O12S |
|---|---|
| Molecular Weight | 1107.55 g/mol |
| LogP | -1.7718 |
| Topological Polar Surface Area | 406.26 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1107.5536 |
| Heavy Atoms | 78 |
| Complexity | 2446.0613 |
Chemical Identifiers
| CAS Number | 256952-63-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)N |
Product Overview
Chemical Compound (C52H77N13O12S) (CAS 256952-63-3), with molecular formula C52H77N13O12S and molecular weight 1107.55 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of Chemical Compound (C52H77N13O12S)
Property Insights of Chemical Compound (C52H77N13O12S)
The XLogP value of -1.7718 indicates that Chemical Compound (C52H77N13O12S) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.26 Ų indicates high polarity, suggesting Chemical Compound (C52H77N13O12S) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C52H77N13O12S) has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chemical Compound (C52H77N13O12S)?
The CAS number of Chemical Compound (C52H77N13O12S) is 256952-63-3.
What is the molecular formula of Chemical Compound (C52H77N13O12S)?
The molecular formula of Chemical Compound (C52H77N13O12S) is C52H77N13O12S.
What is the molecular weight of Chemical Compound (C52H77N13O12S)?
The molecular weight of Chemical Compound (C52H77N13O12S) is 1107.55 g/mol.
Where can I buy Chemical Compound (C52H77N13O12S)?
You can request a quote for Chemical Compound (C52H77N13O12S) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C52H77N13O12S)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C52H77N13O12S) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.