Doxylamine chlorotheophyllinate
TL;DR: Doxylamine chlorotheophyllinate (CAS 23282-67-9) is a chemical compound with molecular formula C24H29ClN6O3 and molecular weight 484.20 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-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
Also Known As: Doxylamine chlorotheophylinate, DOXYLAMINE CHLOROTHEOPHYLLINATE, 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1), 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1), 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
| Molecular Formula | C24H29ClN6O3 |
|---|---|
| Molecular Weight | 484.20 g/mol |
| LogP | 2.54 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.19897 |
| Heavy Atoms | 34 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 23282-67-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
| InChIKey | GEYQYUZZYJHVGW-UHFFFAOYSA-N |
Product Overview
Doxylamine chlorotheophyllinate (CAS 23282-67-9), with molecular formula C24H29ClN6O3 and molecular weight 484.20 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.
Chemical Property Profile of Doxylamine chlorotheophyllinate
Property Insights of Doxylamine chlorotheophyllinate
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxylamine chlorotheophyllinate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Doxylamine chlorotheophyllinate. Following Lipinski's Rule of Five, Doxylamine chlorotheophyllinate 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 Doxylamine chlorotheophyllinate?
The CAS number of Doxylamine chlorotheophyllinate is 23282-67-9.
What is the molecular formula of Doxylamine chlorotheophyllinate?
The molecular formula of Doxylamine chlorotheophyllinate is C24H29ClN6O3.
What is the molecular weight of Doxylamine chlorotheophyllinate?
The molecular weight of Doxylamine chlorotheophyllinate is 484.20 g/mol.
Where can I buy Doxylamine chlorotheophyllinate?
You can request a quote for Doxylamine chlorotheophyllinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxylamine chlorotheophyllinate?
Yes, KEHONG BIO provides custom synthesis services for Doxylamine chlorotheophyllinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.