![3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one structure](/static/products/933/93367-36-3.png)
3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one
TL;DR: 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one (CAS 93367-36-3) is a chemical compound with molecular formula C18H15ClO2S and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one
Also Known As: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one, 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochr, 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]-4H-1-benzothiopyran-4-one
| Molecular Formula | C18H15ClO2S |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.04813 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 93367-36-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2)CCl)CO |
| InChIKey | VHYJZSXJTOJPKA-UHFFFAOYSA-N |
Product Overview
3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one (CAS 93367-36-3), with molecular formula C18H15ClO2S and molecular weight 330.05 g/mol. IUPAC: 3-(chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one.
Chemical Property Profile of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one
Property Insights of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one
The XLogP value of 3.6 indicates that 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one. Following Lipinski's Rule of Five, 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one has 1 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 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one?
The CAS number of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one is 93367-36-3.
What is the molecular formula of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one?
The molecular formula of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one is C18H15ClO2S.
What is the molecular weight of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one?
The molecular weight of 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one is 330.05 g/mol.
Where can I buy 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one?
You can request a quote for 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-2-[3-(hydroxymethyl)-4-methylphenyl]thiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.