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Dibenzo[b,d]thiophene-3,7-dicarboxylic acid
TL;DR: Dibenzo[b,d]thiophene-3,7-dicarboxylic acid (CAS 41738-65-2) is a chemical compound with molecular formula C14H8O4S and molecular weight 272.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzothiophene-3,7-dicarboxylic acid
Also Known As: dibenzo[b,d]thiophene-3,7-dicarboxylic acid, YSWG857, dibenzothiophene-3,7-dicarboxylic acid, 3,7-Dibenzothiophenedicarboxylic acid, J3.792.890I
| Molecular Formula | C14H8O4S |
|---|---|
| Molecular Weight | 272.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.01434 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 41738-65-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)SC3=C2C=CC(=C3)C(=O)O |
| InChIKey | NAVUESYOIIFRAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo[b,d]thiophene-3,7-dicarboxylic acid (CAS 41738-65-2), with molecular formula C14H8O4S and molecular weight 272.01 g/mol. IUPAC: dibenzothiophene-3,7-dicarboxylic acid.
Chemical Property Profile of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid
Property Insights of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid
The XLogP value of 3.3 indicates that Dibenzo[b,d]thiophene-3,7-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo[b,d]thiophene-3,7-dicarboxylic acid. Following Lipinski's Rule of Five, Dibenzo[b,d]thiophene-3,7-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 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 Dibenzo[b,d]thiophene-3,7-dicarboxylic acid?
The CAS number of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid is 41738-65-2.
What is the molecular formula of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid?
The molecular formula of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid is C14H8O4S.
What is the molecular weight of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid?
The molecular weight of Dibenzo[b,d]thiophene-3,7-dicarboxylic acid is 272.01 g/mol.
Where can I buy Dibenzo[b,d]thiophene-3,7-dicarboxylic acid?
You can request a quote for Dibenzo[b,d]thiophene-3,7-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,d]thiophene-3,7-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,d]thiophene-3,7-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.