Pacidamycin 5T
TL;DR: Pacidamycin 5T (CAS 328110-92-5) is a chemical compound with molecular formula C36H44N8O12 and molecular weight 780.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Also Known As: Pacidamycin 5T, J1.463.797D, 2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, 2-(((1-((2-(2-amino-3-(3-hydroxyphenyl)-N-methylpropanamido)-1-((((2Z)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-ylidene)methyl)-C-hydroxycarbonimidoyl)propyl)-C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl)amino)-3-(3-hydroxyphenyl)propanoate, 2-((1-((3-((2-amino-3-(3-hydroxyphenyl)propanoyl)-methylamino)-1-(((Z)-(5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene)methyl)amino)-1-oxobutan-2-yl)amino)-1-oxopropan-2-yl)carbamoylamino)-3-(3-hydroxyphenyl)propanoic acid
| Molecular Formula | C36H44N8O12 |
|---|---|
| Molecular Weight | 780.31 g/mol |
| LogP | -1.5295 |
| Topological Polar Surface Area | 307.74 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 780.30786 |
| Heavy Atoms | 56 |
| Complexity | 2084.1963 |
Chemical Identifiers
| CAS Number | 328110-92-5 |
|---|---|
| SMILES | CC(C(C(=O)N/C=C\1/CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(C)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)N |
Product Overview
Pacidamycin 5T (CAS 328110-92-5), with molecular formula C36H44N8O12 and molecular weight 780.31 g/mol. IUPAC: 2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid.
Chemical Property Profile of Pacidamycin 5T
Property Insights of Pacidamycin 5T
The XLogP value of -1.5295 indicates that Pacidamycin 5T is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.74 Ų indicates high polarity, suggesting Pacidamycin 5T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pacidamycin 5T 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 Pacidamycin 5T?
The CAS number of Pacidamycin 5T is 328110-92-5.
What is the molecular formula of Pacidamycin 5T?
The molecular formula of Pacidamycin 5T is C36H44N8O12.
What is the molecular weight of Pacidamycin 5T?
The molecular weight of Pacidamycin 5T is 780.31 g/mol.
Where can I buy Pacidamycin 5T?
You can request a quote for Pacidamycin 5T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacidamycin 5T?
Yes, KEHONG BIO provides custom synthesis services for Pacidamycin 5T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.