Promethazine theoclate
TL;DR: Promethazine theoclate (CAS 7009-67-8) 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-3-phenothiazin-10-ylpropan-1-amine
Also Known As: Promethazine theoclate, PROMAZINE THEOCLATE, 8-Chlorotheophylline compd. with 10-(3-dimethylaminopropyl)phenothiazine, 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine, Theophylline, 8-chloro-, compd. with 10-(3-(dimethylamino)propyl)phenothiazine (1:1)
| 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 | 4 |
| Exact Mass | 498.16046 |
| Heavy Atoms | 34 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 7009-67-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 |
| InChIKey | CZANOGSGRGNFPB-UHFFFAOYSA-N |
Product Overview
Promethazine theoclate (CAS 7009-67-8), 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-3-phenothiazin-10-ylpropan-1-amine.
Chemical Property Profile of Promethazine theoclate
Property Insights of Promethazine theoclate
The XLogP value of 3.85 indicates that Promethazine theoclate 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 theoclate. Following Lipinski's Rule of Five, Promethazine theoclate 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 theoclate?
The CAS number of Promethazine theoclate is 7009-67-8.
What is the molecular formula of Promethazine theoclate?
The molecular formula of Promethazine theoclate is C24H27ClN6O2S.
What is the molecular weight of Promethazine theoclate?
The molecular weight of Promethazine theoclate is 498.16 g/mol.
Where can I buy Promethazine theoclate?
You can request a quote for Promethazine theoclate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Promethazine theoclate?
Yes, KEHONG BIO provides custom synthesis services for Promethazine theoclate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.