1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- (CAS 56014-69-8) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(2-methylpropylidene)-2-benzofuran-1-one
Also Known As: -3- phthalide, Isobutylidene phthalide, 3-Isobutylidenephthalide, (E)-3-Isobutylidenephthalide, 2-Methylpropylidenephthalide (E)
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.8539 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 402.5377 |
Chemical Identifiers
| CAS Number | 56014-69-8 |
|---|---|
| SMILES | CC(C)/C=C\1/C2=CC=CC=C2C(=O)O1 |
Product Overview
1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- (CAS 56014-69-8), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: (3Z)-3-(2-methylpropylidene)-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
The XLogP value of 2.8539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- 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 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- is 56014-69-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- is C12H12O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- is 188.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.