薰衣草素C
TL;DR: 薰衣草素C (CAS 125697-93-0) is a chemical compound with molecular formula C14H13NO5 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
薰衣草素C
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid
Also Known As: lavendustin c, Compound 5, Fluconazol, HDBA, Lavendustin-C
| Molecular Formula | C14H13NO5 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07938 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 125697-93-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=C(C=CC(=C2)O)O)C(=O)O)O |
| InChIKey | LULATDWLDJOKCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
薰衣草素C (CAS 125697-93-0), with molecular formula C14H13NO5 and molecular weight 275.08 g/mol. IUPAC: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of 薰衣草素C
Property Insights of 薰衣草素C
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 薰衣草素C. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 薰衣草素C. Following Lipinski's Rule of Five, 薰衣草素C has 5 hydrogen bond donor(s) and 6 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 薰衣草素C?
The CAS number of 薰衣草素C is 125697-93-0.
What is the molecular formula of 薰衣草素C?
The molecular formula of 薰衣草素C is C14H13NO5.
What is the molecular weight of 薰衣草素C?
The molecular weight of 薰衣草素C is 275.08 g/mol.
Where can I buy 薰衣草素C?
You can request a quote for 薰衣草素C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 薰衣草素C?
Yes, KEHONG BIO provides custom synthesis services for 薰衣草素C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.