8-甲酰基-1-萘甲酸
TL;DR: 8-甲酰基-1-萘甲酸 (CAS 5811-87-0) is a chemical compound with molecular formula C12H8O3 and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-甲酰基-1-萘甲酸
8-formylnaphthalene-1-carboxylic acid
Also Known As: 8-Formyl-1-naphthoic acid, 1,8-Naphthalaldehydic acid, Naphthaldehydic acid, Naphthalaldehydic acid, 8-formylnaphthalene-1-carboxylic acid
| Molecular Formula | C12H8O3 |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.04735 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5811-87-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C=O)C(=CC=C2)C(=O)O |
| InChIKey | HLHDIWAOQIRETC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-甲酰基-1-萘甲酸 (CAS 5811-87-0), with molecular formula C12H8O3 and molecular weight 200.05 g/mol. IUPAC: 8-formylnaphthalene-1-carboxylic acid.
Chemical Property Profile of 8-甲酰基-1-萘甲酸
Property Insights of 8-甲酰基-1-萘甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-甲酰基-1-萘甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 8-甲酰基-1-萘甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-甲酰基-1-萘甲酸 has 1 hydrogen bond donor(s) and 3 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 8-甲酰基-1-萘甲酸?
The CAS number of 8-甲酰基-1-萘甲酸 is 5811-87-0.
What is the molecular formula of 8-甲酰基-1-萘甲酸?
The molecular formula of 8-甲酰基-1-萘甲酸 is C12H8O3.
What is the molecular weight of 8-甲酰基-1-萘甲酸?
The molecular weight of 8-甲酰基-1-萘甲酸 is 200.05 g/mol.
Where can I buy 8-甲酰基-1-萘甲酸?
You can request a quote for 8-甲酰基-1-萘甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-甲酰基-1-萘甲酸?
Yes, KEHONG BIO provides custom synthesis services for 8-甲酰基-1-萘甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.