Scuteamoenin
TL;DR: Scuteamoenin (CAS 129138-49-4) is a chemical compound with molecular formula C47H79N13O11 and molecular weight 1001.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid
Also Known As: Scuteamoenin, 2',5,6'-Trihydroxy-7-methoxyflavanone, (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid, (3s)-3-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-acetamido-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-amino-2-oxo-ethyl), (3s)-3-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-acetamido-5-guanidino-pentanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-amino-2-oxo-ethyl)amino]-4-oxo-butanoic acid
| Molecular Formula | C47H79N13O11 |
|---|---|
| Molecular Weight | 1001.60 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 34 |
| Exact Mass | 1001.6022 |
| Heavy Atoms | 71 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 129138-49-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C |
| InChIKey | VIQYCLDEYAEKBM-TZXFWULXSA-N |
Product Overview
Scuteamoenin (CAS 129138-49-4), with molecular formula C47H79N13O11 and molecular weight 1001.60 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid.
Chemical Property Profile of Scuteamoenin
Property Insights of Scuteamoenin
The XLogP value of -2.9 indicates that Scuteamoenin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting Scuteamoenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scuteamoenin has 13 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scuteamoenin?
The CAS number of Scuteamoenin is 129138-49-4.
What is the molecular formula of Scuteamoenin?
The molecular formula of Scuteamoenin is C47H79N13O11.
What is the molecular weight of Scuteamoenin?
The molecular weight of Scuteamoenin is 1001.60 g/mol.
Where can I buy Scuteamoenin?
You can request a quote for Scuteamoenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scuteamoenin?
Yes, KEHONG BIO provides custom synthesis services for Scuteamoenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.