Cui xing an
TL;DR: Cui xing an (CAS 79611-86-2) is a chemical compound with molecular formula C13H21ClN2O3 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride
Also Known As: Cui xing an, Cui Xing AN [Chinese], Carbamic acid, dimethyl-, 3-(2-(dimethylamino)ethoxy)phenyl ester, monohydrochloride, Dimethylcarbamic acid 3-(2-(dimethylamino)ethoxy)phenyl ester monohydrochloride, phenol,m-(2-,dimethylcarbamate,monohydrochloride
| Molecular Formula | C13H21ClN2O3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 2.1092 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.12408 |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 79611-86-2 |
|---|---|
| SMILES | CN(C)CCOC1=CC(=CC=C1)OC(=O)N(C)C.Cl |
| InChIKey | NLYDMIHBQSKJKY-UHFFFAOYSA-N |
Product Overview
Cui xing an (CAS 79611-86-2), with molecular formula C13H21ClN2O3 and molecular weight 288.12 g/mol. IUPAC: [3-[2-(dimethylamino)ethoxy]phenyl] N,N-dimethylcarbamate;hydrochloride.
Chemical Property Profile of Cui xing an
Property Insights of Cui xing an
The XLogP value of 2.1092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cui xing an. With a topological polar surface area (TPSA) of 42.0 Ų, Cui xing an exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cui xing an has 1 hydrogen bond donor(s) and 4 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 Cui xing an?
The CAS number of Cui xing an is 79611-86-2.
What is the molecular formula of Cui xing an?
The molecular formula of Cui xing an is C13H21ClN2O3.
What is the molecular weight of Cui xing an?
The molecular weight of Cui xing an is 288.12 g/mol.
Where can I buy Cui xing an?
You can request a quote for Cui xing an directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cui xing an?
Yes, KEHONG BIO provides custom synthesis services for Cui xing an and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.