1(3H)-Isobenzofuranone, 3-(phenylthio)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(phenylthio)- (CAS 51287-54-8) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanyl-3H-2-benzofuran-1-one
Also Known As: 3-(Phenylthio)phthalide, 3-phenylsulfanylphthalide, 1(3H)-Isobenzofuranone, 3-(phenylthio)-, 3-(Phenylthio)isobenzofuran-1(3H)-one, 3-phenylsulfanyl-3H-2-benzofuran-1-one
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.6479 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 551.1585 |
Chemical Identifiers
| CAS Number | 51287-54-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2C3=CC=CC=C3C(=O)O2 |
Product Overview
1(3H)-Isobenzofuranone, 3-(phenylthio)- (CAS 51287-54-8), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: 3-phenylsulfanyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(phenylthio)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(phenylthio)-
The XLogP value of 3.6479 indicates that 1(3H)-Isobenzofuranone, 3-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 3-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(phenylthio)- 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 1(3H)-Isobenzofuranone, 3-(phenylthio)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(phenylthio)- is 51287-54-8.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(phenylthio)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(phenylthio)- is C14H10O2S.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(phenylthio)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(phenylthio)- is 242.04 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(phenylthio)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(phenylthio)- 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-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.