Hexothiocaine
TL;DR: Hexothiocaine (CAS 14014-06-3) is a chemical compound with molecular formula C19H32N2O2S and molecular weight 352.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[2-(diethylamino)ethyl] 4-amino-2-hexoxybenzenecarbothioate
Also Known As: Hexothiocaine, O-[2-(diethylamino)ethyl] 4-amino-2-hexoxybenzenecarbothioate, O-(2-diethylaminoethyl) 4-amino-2-hexoxybenzenecarbothioate, (4-amino-2-hexoxy-phenyl)-(2-diethylaminoethoxy)methanethione, 2-(diethylamino)ethyl 4-amino-2-(hexyloxy)benzene-1-carbothioate
| Molecular Formula | C19H32N2O2S |
|---|---|
| Molecular Weight | 352.22 g/mol |
| LogP | 4.2618 |
| Topological Polar Surface Area | 47.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 352.21844 |
| Heavy Atoms | 24 |
| Complexity | 490.2552 |
Chemical Identifiers
| CAS Number | 14014-06-3 |
|---|---|
| SMILES | CCCCCCOC1=C(C=CC(=C1)N)C(=S)OCCN(CC)CC |
Product Overview
Hexothiocaine (CAS 14014-06-3), with molecular formula C19H32N2O2S and molecular weight 352.22 g/mol. IUPAC: O-[2-(diethylamino)ethyl] 4-amino-2-hexoxybenzenecarbothioate.
Chemical Property Profile of Hexothiocaine
Property Insights of Hexothiocaine
The XLogP value of 4.2618 indicates that Hexothiocaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.72 Ų, Hexothiocaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexothiocaine has 1 hydrogen bond donor(s) and 5 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 Hexothiocaine?
The CAS number of Hexothiocaine is 14014-06-3.
What is the molecular formula of Hexothiocaine?
The molecular formula of Hexothiocaine is C19H32N2O2S.
What is the molecular weight of Hexothiocaine?
The molecular weight of Hexothiocaine is 352.22 g/mol.
Where can I buy Hexothiocaine?
You can request a quote for Hexothiocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexothiocaine?
Yes, KEHONG BIO provides custom synthesis services for Hexothiocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.