MixCom6_001998
TL;DR: MixCom6_001998 (CAS 441314-66-5) is a chemical compound with molecular formula C20H23FN2O4 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
Also Known As: MixCom6_001998, BAS 02500532, BIM-0040129.P001, (3-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone, (3-fluorophenyl)[4-(4-hydroxy-3,5-dimethoxybenzyl)piperazin-1-yl]methanone
| Molecular Formula | C20H23FN2O4 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 2.5065 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.16418 |
| Heavy Atoms | 27 |
| Complexity | 794.37415 |
Chemical Identifiers
| CAS Number | 441314-66-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F |
Product Overview
MixCom6_001998 (CAS 441314-66-5), with molecular formula C20H23FN2O4 and molecular weight 374.16 g/mol. IUPAC: (3-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone.
Chemical Property Profile of MixCom6_001998
Property Insights of MixCom6_001998
The XLogP value of 2.5065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001998. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001998. Following Lipinski's Rule of Five, MixCom6_001998 has 1 hydrogen bond donor(s) and 5 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 MixCom6_001998?
The CAS number of MixCom6_001998 is 441314-66-5.
What is the molecular formula of MixCom6_001998?
The molecular formula of MixCom6_001998 is C20H23FN2O4.
What is the molecular weight of MixCom6_001998?
The molecular weight of MixCom6_001998 is 374.16 g/mol.
Where can I buy MixCom6_001998?
You can request a quote for MixCom6_001998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001998?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.