1,4-萘二甲酸
TL;DR: 1,4-萘二甲酸 (CAS 605-70-9) 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.
1,4-萘二甲酸
naphthalene-1,4-dicarboxylic acid
Also Known As: 1,4-Naphthalenedicarboxylic acid, Naphthalene-1,4-dicarboxylic acid, Isoxaben, 1,4-Naphthalicacid, 1,4-Naphthalic acid
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.6 |
| 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 | 605-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O |
| InChIKey | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-萘二甲酸 (CAS 605-70-9), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: naphthalene-1,4-dicarboxylic acid.
Chemical Property Profile of 1,4-萘二甲酸
Property Insights of 1,4-萘二甲酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-萘二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-萘二甲酸. Following Lipinski's Rule of Five, 1,4-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 1,4-萘二甲酸?
The CAS number of 1,4-萘二甲酸 is 605-70-9.
What is the molecular formula of 1,4-萘二甲酸?
The molecular formula of 1,4-萘二甲酸 is C12H8O4.
What is the molecular weight of 1,4-萘二甲酸?
The molecular weight of 1,4-萘二甲酸 is 216.04 g/mol.
Where can I buy 1,4-萘二甲酸?
You can request a quote for 1,4-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 1,4-萘二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,4-萘二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.