RefChem:1071878
TL;DR: RefChem:1071878 (CAS 130689-07-5) is a chemical compound with molecular formula C17H13ClO2S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-6-chloro-3-[(2-methoxyphenyl)methylidene]thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-6-chloro-3-((2-methoxyphenyl)methylene)-4H-1-benzothiopyran-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-((2-methoxyphenyl)methylene)-, (Z)-, (3Z)-6-chloro-3-[(2-methoxyphenyl)methylene]thiochroman-4-one, (3Z)-6-chloro-3-[(2-methoxyphenyl)methylidene]thiochromen-4-one, 4H-1-benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-[(2-methoxyphenyl)methylene]-, (3Z)-
| Molecular Formula | C17H13ClO2S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.7206 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.03247 |
| Heavy Atoms | 21 |
| Complexity | 737.32 |
Chemical Identifiers
| CAS Number | 130689-07-5 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/2\CSC3=C(C2=O)C=C(C=C3)Cl |
Product Overview
RefChem:1071878 (CAS 130689-07-5), with molecular formula C17H13ClO2S and molecular weight 316.03 g/mol. IUPAC: (3Z)-6-chloro-3-[(2-methoxyphenyl)methylidene]thiochromen-4-one.
Chemical Property Profile of RefChem:1071878
Property Insights of RefChem:1071878
The XLogP value of 4.7206 indicates that RefChem:1071878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1071878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071878 has 0 hydrogen bond donor(s) and 3 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 RefChem:1071878?
The CAS number of RefChem:1071878 is 130689-07-5.
What is the molecular formula of RefChem:1071878?
The molecular formula of RefChem:1071878 is C17H13ClO2S.
What is the molecular weight of RefChem:1071878?
The molecular weight of RefChem:1071878 is 316.03 g/mol.
Where can I buy RefChem:1071878?
You can request a quote for RefChem:1071878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.