Octahydro-2-phenyl-2H-1-benzothiopyran
TL;DR: Octahydro-2-phenyl-2H-1-benzothiopyran (CAS 42873-19-8) is a chemical compound with molecular formula C15H20S and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
Also Known As: 2-Phenyl-octahydro-thiochromene, Octahydro-2-phenyl-2H-1-benzothiopyran, BAS 00260452, 2-Phenyloctahydro-2H-1-benzothiopyran, 2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
| Molecular Formula | C15H20S |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 4.8135 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.12857 |
| Heavy Atoms | 16 |
| Complexity | 332.548 |
Chemical Identifiers
| CAS Number | 42873-19-8 |
|---|---|
| SMILES | C1CCC2C(C1)CCC(S2)C3=CC=CC=C3 |
Product Overview
Octahydro-2-phenyl-2H-1-benzothiopyran (CAS 42873-19-8), with molecular formula C15H20S and molecular weight 232.13 g/mol. IUPAC: 2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene.
Chemical Property Profile of Octahydro-2-phenyl-2H-1-benzothiopyran
Property Insights of Octahydro-2-phenyl-2H-1-benzothiopyran
The XLogP value of 4.8135 indicates that Octahydro-2-phenyl-2H-1-benzothiopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octahydro-2-phenyl-2H-1-benzothiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-2-phenyl-2H-1-benzothiopyran 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 Octahydro-2-phenyl-2H-1-benzothiopyran?
The CAS number of Octahydro-2-phenyl-2H-1-benzothiopyran is 42873-19-8.
What is the molecular formula of Octahydro-2-phenyl-2H-1-benzothiopyran?
The molecular formula of Octahydro-2-phenyl-2H-1-benzothiopyran is C15H20S.
What is the molecular weight of Octahydro-2-phenyl-2H-1-benzothiopyran?
The molecular weight of Octahydro-2-phenyl-2H-1-benzothiopyran is 232.13 g/mol.
Where can I buy Octahydro-2-phenyl-2H-1-benzothiopyran?
You can request a quote for Octahydro-2-phenyl-2H-1-benzothiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-2-phenyl-2H-1-benzothiopyran?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-2-phenyl-2H-1-benzothiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.