C20H33N3O4.3ClH.1/2H2O
TL;DR: C20H33N3O4.3ClH.1/2H2O (CAS 64966-13-8) is a chemical compound with molecular formula C20H36Cl3N3O4 and molecular weight 487.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]morpholine;trihydrochloride
Also Known As: C20H33N3O4.3ClH.1/2H2O, C20-H33-N3-O4.3Cl-H.1/2H2-O, Morpholine, 4-(2-(4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)ethyl)-, hydrochloride, hydrate (2:6:1), 1-(2-morpholin-4-ylethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Trihydrochloride, 4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]morpholine trihydrochloride
| Molecular Formula | C20H36Cl3N3O4 |
|---|---|
| Molecular Weight | 487.18 g/mol |
| LogP | 2.4276 |
| Topological Polar Surface Area | 46.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.17715 |
| Heavy Atoms | 30 |
| Complexity | 598.9046 |
Chemical Identifiers
| CAS Number | 64966-13-8 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCN(CC2)CCN3CCOCC3)OC)OC.Cl.Cl.Cl |
Product Overview
C20H33N3O4.3ClH.1/2H2O (CAS 64966-13-8), with molecular formula C20H36Cl3N3O4 and molecular weight 487.18 g/mol. IUPAC: 4-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]morpholine;trihydrochloride.
Chemical Property Profile of C20H33N3O4.3ClH.1/2H2O
Property Insights of C20H33N3O4.3ClH.1/2H2O
The XLogP value of 2.4276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H33N3O4.3ClH.1/2H2O. With a topological polar surface area (TPSA) of 46.64 Ų, C20H33N3O4.3ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H33N3O4.3ClH.1/2H2O has 0 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 C20H33N3O4.3ClH.1/2H2O?
The CAS number of C20H33N3O4.3ClH.1/2H2O is 64966-13-8.
What is the molecular formula of C20H33N3O4.3ClH.1/2H2O?
The molecular formula of C20H33N3O4.3ClH.1/2H2O is C20H36Cl3N3O4.
What is the molecular weight of C20H33N3O4.3ClH.1/2H2O?
The molecular weight of C20H33N3O4.3ClH.1/2H2O is 487.18 g/mol.
Where can I buy C20H33N3O4.3ClH.1/2H2O?
You can request a quote for C20H33N3O4.3ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H33N3O4.3ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H33N3O4.3ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.