1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-
TL;DR: 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- (CAS 21905-89-5) is a chemical compound with molecular formula C11H6O4 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dioxonaphthalene-1-carboxylic acid
Also Known As: 3,4-dioxonaphthalene-1-carboxylic acid, 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-, 3,4-dioxo-3,4-dihydro-[1]naphthoic acid, 3,4-Dioxo-3,4-dihydronaphthalene-1-carboxylic acid
| Molecular Formula | C11H6O4 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02661 |
| Heavy Atoms | 15 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 21905-89-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)C2=O)C(=O)O |
| InChIKey | QFMGJHQFLGKCBX-UHFFFAOYSA-N |
Product Overview
1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- (CAS 21905-89-5), with molecular formula C11H6O4 and molecular weight 202.03 g/mol. IUPAC: 3,4-dioxonaphthalene-1-carboxylic acid.
Chemical Property Profile of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-
Property Insights of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-. Following Lipinski's Rule of Five, 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- 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 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-?
The CAS number of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- is 21905-89-5.
What is the molecular formula of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-?
The molecular formula of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- is C11H6O4.
What is the molecular weight of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-?
The molecular weight of 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- is 202.03 g/mol.
Where can I buy 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-?
You can request a quote for 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.