Plipastatin B 2
TL;DR: Plipastatin B 2 (CAS 103955-74-4) is a chemical compound with molecular formula C75H116N12O20 and molecular weight 1504.84 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]-3,6,9,12,18,21,24,27-octaoxo-19-propan-2-yl-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 B 2, Plipastatin B2, Trypsinogen 2, SNA-60-367-12, Plipastatin A 1, 1-(N-(3-hydroxy-14-methyl-1-oxohexadecyl)-L-glutamic acid)-6-D-valine-, (R-(R*,S*))-
| Molecular Formula | C75H116N12O20 |
|---|---|
| Molecular Weight | 1504.84 g/mol |
| LogP | 1.9656 |
| Topological Polar Surface Area | 512.91 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Exact Mass | 1504.8429 |
| Heavy Atoms | 107 |
| Complexity | 3283.788 |
Chemical Identifiers
| CAS Number | 103955-74-4 |
|---|---|
| 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(C)C)CCC(=O)N)CC4=CC=C(C=C4)O)C(C)CC)O |
Product Overview
Plipastatin B 2 (CAS 103955-74-4), with molecular formula C75H116N12O20 and molecular weight 1504.84 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]-3,6,9,12,18,21,24,27-octaoxo-19-propan-2-yl-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 B 2
Property Insights of Plipastatin B 2
The XLogP value of 1.9656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plipastatin B 2. The TPSA of 512.91 Ų indicates high polarity, suggesting Plipastatin B 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plipastatin B 2 has 16 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plipastatin B 2?
The CAS number of Plipastatin B 2 is 103955-74-4.
What is the molecular formula of Plipastatin B 2?
The molecular formula of Plipastatin B 2 is C75H116N12O20.
What is the molecular weight of Plipastatin B 2?
The molecular weight of Plipastatin B 2 is 1504.84 g/mol.
Where can I buy Plipastatin B 2?
You can request a quote for Plipastatin B 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plipastatin B 2?
Yes, KEHONG BIO provides custom synthesis services for Plipastatin B 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.