(S)-3-Phenylisobenzofuran-1(3H)-one
TL;DR: (S)-3-Phenylisobenzofuran-1(3H)-one (CAS 5410-05-9) is a chemical compound with molecular formula C14H10O2 and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-phenyl-3H-2-benzofuran-1-one
Also Known As: 3 - Phenylphthalide, (S)-3beta-Phenylphthalide, KST-1A0129, (3s)-3-phenyl-2-benzofuran-1(3h)-one, (S)-3-Phenylisobenzofuran-1(3H)-one
| Molecular Formula | C14H10O2 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06808 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 5410-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3C(=O)O2 |
| InChIKey | SQFMIHCARVMICF-ZDUSSCGKSA-N |
Product Overview
(S)-3-Phenylisobenzofuran-1(3H)-one (CAS 5410-05-9), with molecular formula C14H10O2 and molecular weight 210.07 g/mol. IUPAC: (3S)-3-phenyl-3H-2-benzofuran-1-one.
Chemical Property Profile of (S)-3-Phenylisobenzofuran-1(3H)-one
Property Insights of (S)-3-Phenylisobenzofuran-1(3H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Phenylisobenzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, (S)-3-Phenylisobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-Phenylisobenzofuran-1(3H)-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 (S)-3-Phenylisobenzofuran-1(3H)-one?
The CAS number of (S)-3-Phenylisobenzofuran-1(3H)-one is 5410-05-9.
What is the molecular formula of (S)-3-Phenylisobenzofuran-1(3H)-one?
The molecular formula of (S)-3-Phenylisobenzofuran-1(3H)-one is C14H10O2.
What is the molecular weight of (S)-3-Phenylisobenzofuran-1(3H)-one?
The molecular weight of (S)-3-Phenylisobenzofuran-1(3H)-one is 210.07 g/mol.
Where can I buy (S)-3-Phenylisobenzofuran-1(3H)-one?
You can request a quote for (S)-3-Phenylisobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Phenylisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Phenylisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.