![2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸 structure](/static/products/6965/69658-13-5.webp)
2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸
TL;DR: 2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸 (CAS 69658-13-5) is a chemical compound with molecular formula C19H12O3S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸
2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid
Also Known As: 3-Carboxymethylbenzanthrone, 3-Benzanthronyl carboxymethyl sulfide, 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid, ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-aceticaci, CARBOXYMETHYLBENZANTHRONE, 3-
| Molecular Formula | C19H12O3S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.05072 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 69658-13-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)O)C=CC=C4C2=O |
| InChIKey | QQRGUQLAJOQLIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸 (CAS 69658-13-5), with molecular formula C19H12O3S and molecular weight 320.05 g/mol. IUPAC: 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸
Property Insights of 2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸
The XLogP value of 4.4 indicates that 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-氧代-7H-苯并[de]蒽-3-基硫基)乙酸. Following Lipinski's Rule of Five, 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 has 1 hydrogen bond donor(s) and 4 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 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸?
The CAS number of 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 is 69658-13-5.
What is the molecular formula of 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸?
The molecular formula of 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 is C19H12O3S.
What is the molecular weight of 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸?
The molecular weight of 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 is 320.05 g/mol.
Where can I buy 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸?
You can request a quote for 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-氧代-7H-苯并(DE)蒽-3-基硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.