4,9-Dimethylnaphtho(2,3-b)thiophene
TL;DR: 4,9-Dimethylnaphtho(2,3-b)thiophene (CAS 16587-34-1) is a chemical compound with molecular formula C14H12S and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,9-dimethylbenzo[f][1]benzothiole
Also Known As: 4,9-Dimethylnaphtho[2,3-b]thiophene, 4,9-dimethylbenzo[f][1]benzothiole, Naphtho[2,3-b]thiophene, 4,9-dimethyl-, 4,9-Dimethylnaphtho(2,3-b)thiophene, NAPHTHO[2,3-B]THIOPHENE,4,9-D
| Molecular Formula | C14H12S |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.06598 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 16587-34-1 |
|---|---|
| SMILES | CC1=C2C=CSC2=C(C3=CC=CC=C13)C |
| InChIKey | VFABQOLTPSBUSZ-UHFFFAOYSA-N |
Product Overview
4,9-Dimethylnaphtho(2,3-b)thiophene (CAS 16587-34-1), with molecular formula C14H12S and molecular weight 212.07 g/mol. IUPAC: 4,9-dimethylbenzo[f][1]benzothiole.
Chemical Property Profile of 4,9-Dimethylnaphtho(2,3-b)thiophene
Property Insights of 4,9-Dimethylnaphtho(2,3-b)thiophene
The XLogP value of 4.6 indicates that 4,9-Dimethylnaphtho(2,3-b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 4,9-Dimethylnaphtho(2,3-b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,9-Dimethylnaphtho(2,3-b)thiophene has 0 hydrogen bond donor(s) and 1 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 4,9-Dimethylnaphtho(2,3-b)thiophene?
The CAS number of 4,9-Dimethylnaphtho(2,3-b)thiophene is 16587-34-1.
What is the molecular formula of 4,9-Dimethylnaphtho(2,3-b)thiophene?
The molecular formula of 4,9-Dimethylnaphtho(2,3-b)thiophene is C14H12S.
What is the molecular weight of 4,9-Dimethylnaphtho(2,3-b)thiophene?
The molecular weight of 4,9-Dimethylnaphtho(2,3-b)thiophene is 212.07 g/mol.
Where can I buy 4,9-Dimethylnaphtho(2,3-b)thiophene?
You can request a quote for 4,9-Dimethylnaphtho(2,3-b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,9-Dimethylnaphtho(2,3-b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 4,9-Dimethylnaphtho(2,3-b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.