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Anthra[2,3-b]benzo[d]thiophene-7,12-dione
TL;DR: Anthra[2,3-b]benzo[d]thiophene-7,12-dione (CAS 13823-50-2) is a chemical compound with molecular formula C20H10O2S and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
Also Known As: anthra[2,3-b]benzo[d]thiophene-7,12-dione, Anthra<2,3-b>benzo
| Molecular Formula | C20H10O2S |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.04016 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 13823-50-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C4C(=C3)C5=CC=CC=C5S4 |
| InChIKey | GTQCZMZQLQCVNV-UHFFFAOYSA-N |
Product Overview
Anthra[2,3-b]benzo[d]thiophene-7,12-dione (CAS 13823-50-2), with molecular formula C20H10O2S and molecular weight 314.04 g/mol. IUPAC: 10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione.
Chemical Property Profile of Anthra[2,3-b]benzo[d]thiophene-7,12-dione
Property Insights of Anthra[2,3-b]benzo[d]thiophene-7,12-dione
The XLogP value of 5.2 indicates that Anthra[2,3-b]benzo[d]thiophene-7,12-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthra[2,3-b]benzo[d]thiophene-7,12-dione. Following Lipinski's Rule of Five, Anthra[2,3-b]benzo[d]thiophene-7,12-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthra[2,3-b]benzo[d]thiophene-7,12-dione?
The CAS number of Anthra[2,3-b]benzo[d]thiophene-7,12-dione is 13823-50-2.
What is the molecular formula of Anthra[2,3-b]benzo[d]thiophene-7,12-dione?
The molecular formula of Anthra[2,3-b]benzo[d]thiophene-7,12-dione is C20H10O2S.
What is the molecular weight of Anthra[2,3-b]benzo[d]thiophene-7,12-dione?
The molecular weight of Anthra[2,3-b]benzo[d]thiophene-7,12-dione is 314.04 g/mol.
Where can I buy Anthra[2,3-b]benzo[d]thiophene-7,12-dione?
You can request a quote for Anthra[2,3-b]benzo[d]thiophene-7,12-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthra[2,3-b]benzo[d]thiophene-7,12-dione?
Yes, KEHONG BIO provides custom synthesis services for Anthra[2,3-b]benzo[d]thiophene-7,12-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.