1,9-噻蒽二甲酸
TL;DR: 1,9-噻蒽二甲酸 (CAS 86-67-9) is a chemical compound with molecular formula C14H8O4S2 and molecular weight 303.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-噻蒽二甲酸
thianthrene-1,9-dicarboxylic acid
Also Known As: 1,9-Thianthrenedicarboxylic acid, thianthrene-1,9-dicarboxylic acid, 1,9-Thianthrenedicarboxylicacid, thianthren-1,9-dicarboxylsyre, 1,8-Thianthrenedicarboxylicacid (6CI)
| Molecular Formula | C14H8O4S2 |
|---|---|
| Molecular Weight | 303.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.9864 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 86-67-9 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC3=CC=CC(=C3S2)C(=O)O)C(=O)O |
| InChIKey | WKUMLCTUNDLANJ-UHFFFAOYSA-N |
Product Overview
1,9-噻蒽二甲酸 (CAS 86-67-9), with molecular formula C14H8O4S2 and molecular weight 303.99 g/mol. IUPAC: thianthrene-1,9-dicarboxylic acid.
Chemical Property Profile of 1,9-噻蒽二甲酸
Property Insights of 1,9-噻蒽二甲酸
The XLogP value of 3.2 indicates that 1,9-噻蒽二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,9-噻蒽二甲酸. Following Lipinski's Rule of Five, 1,9-噻蒽二甲酸 has 2 hydrogen bond donor(s) and 6 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 1,9-噻蒽二甲酸?
The CAS number of 1,9-噻蒽二甲酸 is 86-67-9.
What is the molecular formula of 1,9-噻蒽二甲酸?
The molecular formula of 1,9-噻蒽二甲酸 is C14H8O4S2.
What is the molecular weight of 1,9-噻蒽二甲酸?
The molecular weight of 1,9-噻蒽二甲酸 is 303.99 g/mol.
Where can I buy 1,9-噻蒽二甲酸?
You can request a quote for 1,9-噻蒽二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9-噻蒽二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,9-噻蒽二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.