Lophyrotomin
TL;DR: Lophyrotomin (CAS 85932-85-0) is a chemical compound with molecular formula C48H65N9O17 and molecular weight 1039.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
Also Known As: Lophyrotomin, C6H5-CO-Ala-Phe-Val-Ile-Asp-Asp-Glu-Gln, (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid, N-Benzoyl-D-Ala-D-Phe-L-Val-L-Ile-D-Asp-L-Asp-D-Glu-L-Gln-OH, benzoyl-D-alanyl-D-phenylalanyl-L-valyl-L-isoleucyl-D-aspartyl-L-aspartyl-D-glutamyl-L-glutamine
| Molecular Formula | C48H65N9O17 |
|---|---|
| Molecular Weight | 1039.45 g/mol |
| LogP | -1.6924 |
| Topological Polar Surface Area | 425.09 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 32 |
| Exact Mass | 1039.4498 |
| Heavy Atoms | 74 |
| Complexity | 2351.506 |
Chemical Identifiers
| CAS Number | 85932-85-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)C2=CC=CC=C2 |
Product Overview
Lophyrotomin (CAS 85932-85-0), with molecular formula C48H65N9O17 and molecular weight 1039.45 g/mol. IUPAC: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Lophyrotomin
Property Insights of Lophyrotomin
The XLogP value of -1.6924 indicates that Lophyrotomin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 425.09 Ų indicates high polarity, suggesting Lophyrotomin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lophyrotomin 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 Lophyrotomin?
The CAS number of Lophyrotomin is 85932-85-0.
What is the molecular formula of Lophyrotomin?
The molecular formula of Lophyrotomin is C48H65N9O17.
What is the molecular weight of Lophyrotomin?
The molecular weight of Lophyrotomin is 1039.45 g/mol.
Where can I buy Lophyrotomin?
You can request a quote for Lophyrotomin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lophyrotomin?
Yes, KEHONG BIO provides custom synthesis services for Lophyrotomin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.