4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-
TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- (CAS 130689-06-4) is a chemical compound with molecular formula C16H11ClOS and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-benzylidene-6-chlorothiochromen-4-one
Also Known As: 5-17-10-00589 (Beilstein Handbook Reference), (3Z)-3-benzylidene-6-chlorothiochromen-4-one, (Z)-2,3-Dihydro-6-chloro-3-(phenylmethylene)-4H-1-benzothiopyran-4-one, (3Z)-3-benzylidene-6-chloro-thiochroman-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-
| Molecular Formula | C16H11ClOS |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 4.712 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0219 |
| Heavy Atoms | 19 |
| Complexity | 661.7041 |
Chemical Identifiers
| CAS Number | 130689-06-4 |
|---|---|
| SMILES | C1/C(=C\C2=CC=CC=C2)/C(=O)C3=C(S1)C=CC(=C3)Cl |
Product Overview
4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- (CAS 130689-06-4), with molecular formula C16H11ClOS and molecular weight 286.02 g/mol. IUPAC: (3Z)-3-benzylidene-6-chlorothiochromen-4-one.
Chemical Property Profile of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-
Property Insights of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-
The XLogP value of 4.712 indicates that 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- has 0 hydrogen bond donor(s) and 2 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 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-?
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- is 130689-06-4.
What is the molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-?
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- is C16H11ClOS.
What is the molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-?
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- is 286.02 g/mol.
Where can I buy 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-?
You can request a quote for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-chloro-3-(phenylmethylene)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.