Lavendustin A
TL;DR: Lavendustin A (CAS 125697-92-9) is a chemical compound with molecular formula C21H19NO6 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Lavendustin A
5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
Also Known As: Lavendustin A, lavendustin A?, LAVENDUSTINA, BiomolKI2_000019, BMK1-B9
| Molecular Formula | C21H19NO6 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.12125 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 125697-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O |
| InChIKey | ULTTYPMRMMDONC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lavendustin A (CAS 125697-92-9), with molecular formula C21H19NO6 and molecular weight 381.12 g/mol. IUPAC: 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid.
Chemical Property Profile of Lavendustin A
Property Insights of Lavendustin A
The XLogP value of 3.7 indicates that Lavendustin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lavendustin A. Following Lipinski's Rule of Five, Lavendustin A has 5 hydrogen bond donor(s) and 7 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 Lavendustin A?
The CAS number of Lavendustin A is 125697-92-9.
What is the molecular formula of Lavendustin A?
The molecular formula of Lavendustin A is C21H19NO6.
What is the molecular weight of Lavendustin A?
The molecular weight of Lavendustin A is 381.12 g/mol.
Where can I buy Lavendustin A?
You can request a quote for Lavendustin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lavendustin A?
Yes, KEHONG BIO provides custom synthesis services for Lavendustin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.