3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one
TL;DR: 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one (CAS 3570-28-3) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-but-2-ynylisochromen-1-one
Also Known As: Capillarin, 3-but-2-ynylisochromen-1-one, 3-(but-2-ynyl) isocoumarin, 3-(2-Butynyl)-1H-2-benzopyran-1-one, 1H-2-Benzopyran-1-one, 3-(2-butynyl)-
| Molecular Formula | C13H10O2 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.3588 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.06808 |
| Heavy Atoms | 15 |
| Complexity | 596.94257 |
Chemical Identifiers
| CAS Number | 3570-28-3 |
|---|---|
| SMILES | CC#CCC1=CC2=CC=CC=C2C(=O)O1 |
Product Overview
3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one (CAS 3570-28-3), with molecular formula C13H10O2 and molecular weight 198.07 g/mol. IUPAC: 3-but-2-ynylisochromen-1-one.
Chemical Property Profile of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one
Property Insights of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one
The XLogP value of 2.3588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one. With a topological polar surface area (TPSA) of 30.21 Ų, 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one has 0 hydrogen bond donor(s) and 2 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 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one?
The CAS number of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one is 3570-28-3.
What is the molecular formula of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one?
The molecular formula of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one is C13H10O2.
What is the molecular weight of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one?
The molecular weight of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one is 198.07 g/mol.
Where can I buy 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one?
You can request a quote for 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.