3-Phenylbenzothiophene
TL;DR: 3-Phenylbenzothiophene (CAS 14315-12-9) is a chemical compound with molecular formula C14H10S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-benzothiophene
Also Known As: 3-Phenylbenzo[b]thiophene, 3-Phenyl-1-benzothiophene, 3-Phenylbenzothiophene, 3-Phenylthianaphthene, Benzo[b]thiophene, 3-phenyl-
| Molecular Formula | C14H10S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.05032 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 14315-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=CC=CC=C32 |
| InChIKey | HZYRPUKLUAUOMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylbenzothiophene (CAS 14315-12-9), with molecular formula C14H10S and molecular weight 210.05 g/mol. IUPAC: 3-phenyl-1-benzothiophene.
Chemical Property Profile of 3-Phenylbenzothiophene
Property Insights of 3-Phenylbenzothiophene
The XLogP value of 4.6 indicates that 3-Phenylbenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Phenylbenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylbenzothiophene has 0 hydrogen bond donor(s) and 1 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-Phenylbenzothiophene?
The CAS number of 3-Phenylbenzothiophene is 14315-12-9.
What is the molecular formula of 3-Phenylbenzothiophene?
The molecular formula of 3-Phenylbenzothiophene is C14H10S.
What is the molecular weight of 3-Phenylbenzothiophene?
The molecular weight of 3-Phenylbenzothiophene is 210.05 g/mol.
Where can I buy 3-Phenylbenzothiophene?
You can request a quote for 3-Phenylbenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylbenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylbenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.