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Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
TL;DR: Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate (CAS 30161-06-9) is a chemical compound with molecular formula C20H18O2S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
Also Known As: 8-METHYL-5-QUINOLINYLBORONIC ACID, methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate, methyl(8-methyl-9,10-dihydrobenzo[b]naphtho[2,3-d]thiophen-7-yl)acetate, Methyl (8-methyl-9,10-dihydrobenzo[b]naphtho[2,3-d]thiophen-7-yl)acetate, (8-methyl-9,10-dihydro-benzo[b]naphtho[2,3-d]thiophen-7-yl)-acetic acid methyl ester
| Molecular Formula | C20H18O2S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.10275 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 30161-06-9 |
|---|---|
| SMILES | CC1=C(C2=CC3=C(C=C2CC1)C4=CC=CC=C4S3)CC(=O)OC |
| InChIKey | QNJXGMKEJRBYDY-UHFFFAOYSA-N |
Product Overview
Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate (CAS 30161-06-9), with molecular formula C20H18O2S and molecular weight 322.10 g/mol. IUPAC: methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate.
Chemical Property Profile of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
Property Insights of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
The XLogP value of 4.6 indicates that Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate 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 Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate?
The CAS number of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate is 30161-06-9.
What is the molecular formula of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate?
The molecular formula of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate is C20H18O2S.
What is the molecular weight of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate?
The molecular weight of Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate is 322.10 g/mol.
Where can I buy Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate?
You can request a quote for Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.