MixCom6_002112
TL;DR: MixCom6_002112 (CAS 353772-81-3) is a chemical compound with molecular formula C23H31BrN2O5 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Also Known As: MixCom6_002112, BAS 02500802, BIM-0040123.P001, 1-(2-bromo-4,5-dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)piperazine, 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
| Molecular Formula | C23H31BrN2O5 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 3.8099 |
| Topological Polar Surface Area | 52.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.14163 |
| Heavy Atoms | 31 |
| Complexity | 859.5059 |
Chemical Identifiers
| CAS Number | 353772-81-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC |
Product Overview
MixCom6_002112 (CAS 353772-81-3), with molecular formula C23H31BrN2O5 and molecular weight 494.14 g/mol. IUPAC: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
Chemical Property Profile of MixCom6_002112
Property Insights of MixCom6_002112
The XLogP value of 3.8099 indicates that MixCom6_002112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.63 Ų, MixCom6_002112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_002112 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 MixCom6_002112?
The CAS number of MixCom6_002112 is 353772-81-3.
What is the molecular formula of MixCom6_002112?
The molecular formula of MixCom6_002112 is C23H31BrN2O5.
What is the molecular weight of MixCom6_002112?
The molecular weight of MixCom6_002112 is 494.14 g/mol.
Where can I buy MixCom6_002112?
You can request a quote for MixCom6_002112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002112?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.