Plipastatin A 2
TL;DR: Plipastatin A 2 (CAS 112766-96-8) is a chemical compound with molecular formula C73H112N12O20 and molecular weight 1476.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,20,23,26-heptazatricyclo[28.2.2.013,17]tetratriaconta-1(33),30(34),31-trien-28-yl]amino]-1-oxopentan-2-yl]amino]-4-[(3-hydroxy-14-methylhexadecanoyl)amino]-5-oxopentanoic acid
Also Known As: Plipastatin A 2, Plipastatin A2, n-(3-hydroxy-14-methylhexadecanoyl)-, A-glutamyl-n-[3-(3-amino-3-oxopropyl)-9-(butan-2-yl)-23-(2-carboxyethyl)-6-(4-hydroxybenzyl)-20-(1-hydroxyethyl)-26-methyl-1,4,7,10,18,21,24,27-octaoxo-1,2,3,4,5,6,7,8,9,10,16,17,18,19,20,21,22,23,24,25,26,27,29,30,31,31a-hexacosahydro-12,15-ethenopyrrolo[2,1-l][1,4,7,10,13,16,19,22]oxaheptaazacyclononacosin-17-yl]ornithinamide, Plipastatin A 1, 1-(N-(3-hydroxy-14-methyl-1-oxohexadecyl)-L-glutamic acid]-, (R-(R*,S*))-
| Molecular Formula | C73H112N12O20 |
|---|---|
| Molecular Weight | 1476.81 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 513.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 36 |
| Exact Mass | 1476.8115 |
| Heavy Atoms | 105 |
| Complexity | 2860.0 |
Chemical Identifiers
| CAS Number | 112766-96-8 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCCC(CC(=O)NC(CCC(=O)O)C(=O)NC(CCCN)C(=O)NC1CC2=CC=C(C=C2)OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)O)CCC(=O)O)C)CCC(=O)N)CC4=CC=C(C=C4)O)C(C)CC)O |
| InChIKey | YSHVOZLUGRPITA-UHFFFAOYSA-N |
Product Overview
Plipastatin A 2 (CAS 112766-96-8), with molecular formula C73H112N12O20 and molecular weight 1476.81 g/mol. IUPAC: 5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,20,23,26-heptazatricyclo[28.2.2.013,17]tetratriaconta-1(33),30(34),31-trien-28-yl]amino]-1-oxopentan-2-yl]amino]-4-[(3-hydroxy-14-methylhexadecanoyl)amino]-5-oxopentanoic acid.
Chemical Property Profile of Plipastatin A 2
Property Insights of Plipastatin A 2
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plipastatin A 2. The TPSA of 513.0 Ų indicates high polarity, suggesting Plipastatin A 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plipastatin A 2 has 16 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plipastatin A 2?
The CAS number of Plipastatin A 2 is 112766-96-8.
What is the molecular formula of Plipastatin A 2?
The molecular formula of Plipastatin A 2 is C73H112N12O20.
What is the molecular weight of Plipastatin A 2?
The molecular weight of Plipastatin A 2 is 1476.81 g/mol.
Where can I buy Plipastatin A 2?
You can request a quote for Plipastatin A 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plipastatin A 2?
Yes, KEHONG BIO provides custom synthesis services for Plipastatin A 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.