4-(Aziridin-1-yl)-2H-1-benzopyran-2-one
TL;DR: 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one (CAS 3613-09-0) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aziridin-1-yl)chromen-2-one
Also Known As: 4-(aziridin-1-yl)chromen-2-one, 4-aziridin-1-ylchromen-2-one, 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-(1-aziridinyl)-
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 3613-09-0 |
|---|---|
| SMILES | C1CN1C2=CC(=O)OC3=CC=CC=C32 |
| InChIKey | WWKCOJXFASBGPB-UHFFFAOYSA-N |
Product Overview
4-(Aziridin-1-yl)-2H-1-benzopyran-2-one (CAS 3613-09-0), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 4-(aziridin-1-yl)chromen-2-one.
Chemical Property Profile of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one
Property Insights of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 29.3 Ų, 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 3 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 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one?
The CAS number of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one is 3613-09-0.
What is the molecular formula of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one?
The molecular formula of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one is C11H9NO2.
What is the molecular weight of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one?
The molecular weight of 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one is 187.06 g/mol.
Where can I buy 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one?
You can request a quote for 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aziridin-1-yl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.