Asterinin D
TL;DR: Asterinin D (CAS 1998-78-3) is a chemical compound with molecular formula C25H33N5O7 and molecular weight 515.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid
Also Known As: Asterinin D, delta(2,4)-Pro-abu-ser-betaphe-abu, delta(2,4)-Pro-L-abu-L-ser-L-betaphe-L-abu, 2,3,4,5-Tetradehydroprolyl-2-aminobutanoyl-seryl-3-phenyl-beta-alanyl-2-aminobutanoic acid, 2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid
| Molecular Formula | C25H33N5O7 |
|---|---|
| Molecular Weight | 515.24 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 515.238 |
| Heavy Atoms | 37 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 1998-78-3 |
|---|---|
| SMILES | CCC(C(=O)NC(CO)C(=O)NC(CC(=O)NC(CC)C(=O)O)C1=CC=CC=C1)NC(=O)C2=CC=CN2 |
| InChIKey | MSWRFBPAGLGJCX-UHFFFAOYSA-N |
Product Overview
Asterinin D (CAS 1998-78-3), with molecular formula C25H33N5O7 and molecular weight 515.24 g/mol. IUPAC: 2-[[3-[[3-hydroxy-2-[2-(1H-pyrrole-2-carbonylamino)butanoylamino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoic acid.
Chemical Property Profile of Asterinin D
Property Insights of Asterinin D
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asterinin D. The TPSA of 190.0 Ų indicates high polarity, suggesting Asterinin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asterinin D has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asterinin D?
The CAS number of Asterinin D is 1998-78-3.
What is the molecular formula of Asterinin D?
The molecular formula of Asterinin D is C25H33N5O7.
What is the molecular weight of Asterinin D?
The molecular weight of Asterinin D is 515.24 g/mol.
Where can I buy Asterinin D?
You can request a quote for Asterinin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asterinin D?
Yes, KEHONG BIO provides custom synthesis services for Asterinin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.