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Benzo[b]naphtho[1,2]thiophene, 4-methyl
TL;DR: Benzo[b]naphtho[1,2]thiophene, 4-methyl (CAS 84258-61-7) is a chemical compound with molecular formula C17H12S and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylnaphtho[2,1-b][1]benzothiole
Also Known As: Benzo[b]naphtho[1,2]thiophene, 4-methyl, 4-Methylbenzo[b]naphtho[1,2-d]thiophene, Benzo(b)naphtho(1,2-d)thiophene, 4-methyl-, 4-methylnaphtho[2,1-b][1]benzothiole, Benzo(b)naphtho(1,2-d)thiophene,4-methyl-
| Molecular Formula | C17H12S |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.06598 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 84258-61-7 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=CC=C1)C4=CC=CC=C4S3 |
| InChIKey | LZLSFQYPDPVVKN-UHFFFAOYSA-N |
Product Overview
Benzo[b]naphtho[1,2]thiophene, 4-methyl (CAS 84258-61-7), with molecular formula C17H12S and molecular weight 248.07 g/mol. IUPAC: 4-methylnaphtho[2,1-b][1]benzothiole.
Chemical Property Profile of Benzo[b]naphtho[1,2]thiophene, 4-methyl
Property Insights of Benzo[b]naphtho[1,2]thiophene, 4-methyl
The XLogP value of 5.9 indicates that Benzo[b]naphtho[1,2]thiophene, 4-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo[b]naphtho[1,2]thiophene, 4-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]naphtho[1,2]thiophene, 4-methyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]naphtho[1,2]thiophene, 4-methyl?
The CAS number of Benzo[b]naphtho[1,2]thiophene, 4-methyl is 84258-61-7.
What is the molecular formula of Benzo[b]naphtho[1,2]thiophene, 4-methyl?
The molecular formula of Benzo[b]naphtho[1,2]thiophene, 4-methyl is C17H12S.
What is the molecular weight of Benzo[b]naphtho[1,2]thiophene, 4-methyl?
The molecular weight of Benzo[b]naphtho[1,2]thiophene, 4-methyl is 248.07 g/mol.
Where can I buy Benzo[b]naphtho[1,2]thiophene, 4-methyl?
You can request a quote for Benzo[b]naphtho[1,2]thiophene, 4-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]naphtho[1,2]thiophene, 4-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]naphtho[1,2]thiophene, 4-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.