Xinchaunling
TL;DR: Xinchaunling (CAS 104672-11-9) is a chemical compound with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-3,5-dichlorophenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
Also Known As: Xinchaunling, Xinchuanling 1, Xinchaunling (XC-1), 1-Piperazineethanol, alpha-(4-amino-3,5-dichlorophenyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, 1-(4-amino-3,5-dichlorophenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
| Molecular Formula | C22H29Cl2N3O4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1535 |
| Heavy Atoms | 31 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 104672-11-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(C3=CC(=C(C(=C3)Cl)N)Cl)O)OC)OC |
| InChIKey | PTKBIUAODGHENL-UHFFFAOYSA-N |
Product Overview
Xinchaunling (CAS 104672-11-9), with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol. IUPAC: 1-(4-amino-3,5-dichlorophenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol.
Chemical Property Profile of Xinchaunling
Property Insights of Xinchaunling
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xinchaunling. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Xinchaunling. Following Lipinski's Rule of Five, Xinchaunling has 2 hydrogen bond donor(s) and 7 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 Xinchaunling?
The CAS number of Xinchaunling is 104672-11-9.
What is the molecular formula of Xinchaunling?
The molecular formula of Xinchaunling is C22H29Cl2N3O4.
What is the molecular weight of Xinchaunling?
The molecular weight of Xinchaunling is 469.15 g/mol.
Where can I buy Xinchaunling?
You can request a quote for Xinchaunling directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xinchaunling?
Yes, KEHONG BIO provides custom synthesis services for Xinchaunling and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.