2,3-萘二甲酸
TL;DR: 2,3-萘二甲酸 (CAS 2169-87-1) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-萘二甲酸
naphthalene-2,3-dicarboxylic acid
Also Known As: 2,3-Naphthalenedicarboxylic acid, naphthalene-2,3-dicarboxylic acid, 2,3-naphthalic acid, 2,3-Naphthalenedicarboxylicacid, Naphthalin-2,3-dicarbonsure
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2169-87-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)O)C(=O)O |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-萘二甲酸 (CAS 2169-87-1), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: naphthalene-2,3-dicarboxylic acid.
Chemical Property Profile of 2,3-萘二甲酸
Property Insights of 2,3-萘二甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-萘二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-萘二甲酸. Following Lipinski's Rule of Five, 2,3-萘二甲酸 has 2 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 2,3-萘二甲酸?
The CAS number of 2,3-萘二甲酸 is 2169-87-1.
What is the molecular formula of 2,3-萘二甲酸?
The molecular formula of 2,3-萘二甲酸 is C12H8O4.
What is the molecular weight of 2,3-萘二甲酸?
The molecular weight of 2,3-萘二甲酸 is 216.04 g/mol.
Where can I buy 2,3-萘二甲酸?
You can request a quote for 2,3-萘二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-萘二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3-萘二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.