RefChem:1071881
TL;DR: RefChem:1071881 (CAS 130689-11-1) is a chemical compound with molecular formula C20H13ClOS and molecular weight 336.03757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-6-chloro-3-(naphthalen-2-ylmethylidene)thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-6-chloro-3-(2-naphthalenylmethylene)-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(2-naphthalenylmethylene)-, (Z)-, (3Z)-6-chloro-3-(2-naphthylmethylene)thiochroman-4-one, (3Z)-6-chloro-3-(naphthalen-2-ylmethylidene)thiochromen-4-one, 4H-1-benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-(2-naphthalenylmethylene)-, (3Z)-
Technical Specifications
| Molecular Formula | C20H13ClOS |
| Molecular Weight | 336.03757 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.03757 Da |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
| SMILES | C1/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)C4=C(S1)C=CC(=C4)Cl |
| InChIKey | QZOGZQUTEMVWEY-MHWRWJLKSA-N |
Chemical Property Profile of RefChem:1071881
Property Insights of RefChem:1071881
The XLogP value of 5.8 indicates that RefChem:1071881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, RefChem:1071881 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071881 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1071881?
The CAS number of RefChem:1071881 is 130689-11-1.
What is the molecular formula of RefChem:1071881?
The molecular formula of RefChem:1071881 is C20H13ClOS.
What is the molecular weight of RefChem:1071881?
The molecular weight of RefChem:1071881 is 336.03757 g/mol.
Where can I buy RefChem:1071881?
You can request a quote for RefChem:1071881 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071881?
Yes, CoreyChem provides custom synthesis services for RefChem:1071881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.