Promethazine Teoclate
TL;DR: Promethazine Teoclate (CAS 17693-51-5) is a chemical compound with molecular formula C24H27ClN6O2S and molecular weight 498.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
Also Known As: Promethazine teoclate, Avomine, Promethawern, Avopreg, Promethazine theoclate
| Molecular Formula | C24H27ClN6O2S |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 3.85 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.16046 |
| Heavy Atoms | 34 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 17693-51-5 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
| InChIKey | YCXARMXCESBEDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Promethazine Teoclate (CAS 17693-51-5), with molecular formula C24H27ClN6O2S and molecular weight 498.16 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine.
Chemical Property Profile of Promethazine Teoclate
Property Insights of Promethazine Teoclate
The XLogP value of 3.85 indicates that Promethazine Teoclate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Promethazine Teoclate. Following Lipinski's Rule of Five, Promethazine Teoclate has 1 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 Promethazine Teoclate?
The CAS number of Promethazine Teoclate is 17693-51-5.
What is the molecular formula of Promethazine Teoclate?
The molecular formula of Promethazine Teoclate is C24H27ClN6O2S.
What is the molecular weight of Promethazine Teoclate?
The molecular weight of Promethazine Teoclate is 498.16 g/mol.
Where can I buy Promethazine Teoclate?
You can request a quote for Promethazine Teoclate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Promethazine Teoclate?
Yes, KEHONG BIO provides custom synthesis services for Promethazine Teoclate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.