Chymostatin
TL;DR: Chymostatin (CAS 9076-44-2) is a chemical compound with molecular formula C31H41N7O6 and molecular weight 607.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
Also Known As: Chymostatin, Chymostatin (0.5 mg vial), Chymostatin (microbial product), 2-(methoxymethyl)naphthalene-1,4-dione, 2-(methoxymethyl)-1,4-naphthoquinone
| Molecular Formula | C31H41N7O6 |
|---|---|
| Molecular Weight | 607.31 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 607.3118 |
| Heavy Atoms | 44 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 9076-44-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O |
| InChIKey | MRXDGVXSWIXTQL-UHFFFAOYSA-N |
Product Overview
Chymostatin (CAS 9076-44-2), with molecular formula C31H41N7O6 and molecular weight 607.31 g/mol. IUPAC: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid.
Chemical Property Profile of Chymostatin
Property Insights of Chymostatin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chymostatin. The TPSA of 204.0 Ų indicates high polarity, suggesting Chymostatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chymostatin 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 Chymostatin?
The CAS number of Chymostatin is 9076-44-2.
What is the molecular formula of Chymostatin?
The molecular formula of Chymostatin is C31H41N7O6.
What is the molecular weight of Chymostatin?
The molecular weight of Chymostatin is 607.31 g/mol.
Where can I buy Chymostatin?
You can request a quote for Chymostatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chymostatin?
Yes, KEHONG BIO provides custom synthesis services for Chymostatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.