Cribrostatin 3
TL;DR: Cribrostatin 3 (CAS 276682-84-9) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-amino-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
Also Known As: cribrostatin 3, OOVHJUXBXNVAER-YWEYNIOJSA-, J1.343.740H, (7-amino-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate, (7-amino-6-methyl-5,8-dioxo-5,8-dihydroisoquinolin-1-yl)methyl (2Z)-2-methylbut-2-enoate
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 1.7027 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 744.51276 |
Chemical Identifiers
| CAS Number | 276682-84-9 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC1=NC=CC2=C1C(=O)C(=C(C2=O)C)N |
Product Overview
Cribrostatin 3 (CAS 276682-84-9), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: (7-amino-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Cribrostatin 3
Property Insights of Cribrostatin 3
The XLogP value of 1.7027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cribrostatin 3. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Cribrostatin 3. Following Lipinski's Rule of Five, Cribrostatin 3 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cribrostatin 3?
The CAS number of Cribrostatin 3 is 276682-84-9.
What is the molecular formula of Cribrostatin 3?
The molecular formula of Cribrostatin 3 is C16H16N2O4.
What is the molecular weight of Cribrostatin 3?
The molecular weight of Cribrostatin 3 is 300.11 g/mol.
Where can I buy Cribrostatin 3?
You can request a quote for Cribrostatin 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cribrostatin 3?
Yes, KEHONG BIO provides custom synthesis services for Cribrostatin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.