1H-2-Benzothiopyran, 1-(4-chlorophenyl)-
TL;DR: 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- (CAS 53844-18-1) is a chemical compound with molecular formula C15H11ClS and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-1H-isothiochromene
Also Known As: 1-(4-chlorophenyl)-1H-isothiochromene, 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-, 1-(4-Chlorophenyl)-1H-2-benzothiopyran
| Molecular Formula | C15H11ClS |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.027 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 53844-18-1 |
|---|---|
| SMILES | C1=CC=C2C(SC=CC2=C1)C3=CC=C(C=C3)Cl |
| InChIKey | BUPXKRXANKHBOG-UHFFFAOYSA-N |
Product Overview
1H-2-Benzothiopyran, 1-(4-chlorophenyl)- (CAS 53844-18-1), with molecular formula C15H11ClS and molecular weight 258.03 g/mol. IUPAC: 1-(4-chlorophenyl)-1H-isothiochromene.
Chemical Property Profile of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-
Property Insights of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-
The XLogP value of 4.8 indicates that 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- 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 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-?
The CAS number of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- is 53844-18-1.
What is the molecular formula of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-?
The molecular formula of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- is C15H11ClS.
What is the molecular weight of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-?
The molecular weight of 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- is 258.03 g/mol.
Where can I buy 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-?
You can request a quote for 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzothiopyran, 1-(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzothiopyran, 1-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.