Isoundecyl 5-hydroxyanthranilate
TL;DR: Isoundecyl 5-hydroxyanthranilate (CAS 17825-60-4) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyldecyl 2-amino-5-hydroxybenzoate
Also Known As: Isoundecyl 5-hydroxyanthranilate, 9-methyldecyl 2-amino-5-hydroxybenzoate, BU-4601 B, BU 4601 B, BU-4601B
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 17825-60-4 |
|---|---|
| SMILES | CC(C)CCCCCCCCOC(=O)C1=C(C=CC(=C1)O)N |
| InChIKey | NGQKBZVVKVAIIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoundecyl 5-hydroxyanthranilate (CAS 17825-60-4), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 9-methyldecyl 2-amino-5-hydroxybenzoate.
Chemical Property Profile of Isoundecyl 5-hydroxyanthranilate
Property Insights of Isoundecyl 5-hydroxyanthranilate
The XLogP value of 6.0 indicates that Isoundecyl 5-hydroxyanthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoundecyl 5-hydroxyanthranilate. Following Lipinski's Rule of Five, Isoundecyl 5-hydroxyanthranilate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoundecyl 5-hydroxyanthranilate?
The CAS number of Isoundecyl 5-hydroxyanthranilate is 17825-60-4.
What is the molecular formula of Isoundecyl 5-hydroxyanthranilate?
The molecular formula of Isoundecyl 5-hydroxyanthranilate is C18H29NO3.
What is the molecular weight of Isoundecyl 5-hydroxyanthranilate?
The molecular weight of Isoundecyl 5-hydroxyanthranilate is 307.21 g/mol.
Where can I buy Isoundecyl 5-hydroxyanthranilate?
You can request a quote for Isoundecyl 5-hydroxyanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoundecyl 5-hydroxyanthranilate?
Yes, KEHONG BIO provides custom synthesis services for Isoundecyl 5-hydroxyanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.