Pascaine
TL;DR: Pascaine (CAS 15767-73-4) is a chemical compound with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-hydroxybenzoic acid;2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate
Also Known As: Pascaine, Hydroxynovocaine p-aminosalicylate, Benzoic acid, 4-amino-2-hydroxy-, compd. with 2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate, Salicylic acid, 4-amino-, 2-(diethylamino)ethyl ester, 4-aminosalicylate (1:1) (salt), 4-amino-2-hydroxybenzoic acid- 2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate(1:1)
| Molecular Formula | C20H27N3O6 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.18997 |
| Heavy Atoms | 29 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 15767-73-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)O.C1=CC(=C(C=C1N)O)C(=O)O |
| InChIKey | HRACVNXTSHEBIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pascaine (CAS 15767-73-4), with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol. IUPAC: 4-amino-2-hydroxybenzoic acid;2-(diethylamino)ethyl 4-amino-2-hydroxybenzoate.
Chemical Property Profile of Pascaine
Property Insights of Pascaine
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pascaine. The TPSA of 159.0 Ų indicates high polarity, suggesting Pascaine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pascaine has 5 hydrogen bond donor(s) and 9 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 Pascaine?
The CAS number of Pascaine is 15767-73-4.
What is the molecular formula of Pascaine?
The molecular formula of Pascaine is C20H27N3O6.
What is the molecular weight of Pascaine?
The molecular weight of Pascaine is 405.19 g/mol.
Where can I buy Pascaine?
You can request a quote for Pascaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pascaine?
Yes, KEHONG BIO provides custom synthesis services for Pascaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.