BAS 01042177
TL;DR: BAS 01042177 (CAS 333780-56-6) is a chemical compound with molecular formula C21H25BrN2O4 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
Also Known As: BAS 01042177, [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone, [4-(5-bromo-2-methoxybenzyl)piperazin-1-yl](2,6-dimethoxyphenyl)methanone, [4-(5-Bromo-2-methoxy-benzyl)-piperazin-1-yl]-(2,6-dimethoxy-phenyl)-methanone, [4-(5-BROMO-2-METHOXYBENZYL)PIPERAZINO](2,6-DIMETHOXYPHENYL)METHANONE
| Molecular Formula | C21H25BrN2O4 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 3.4329 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.09976 |
| Heavy Atoms | 28 |
| Complexity | 812.90045 |
Chemical Identifiers
| CAS Number | 333780-56-6 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC |
Product Overview
BAS 01042177 (CAS 333780-56-6), with molecular formula C21H25BrN2O4 and molecular weight 448.10 g/mol. IUPAC: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone.
Chemical Property Profile of BAS 01042177
Property Insights of BAS 01042177
The XLogP value of 3.4329 indicates that BAS 01042177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, BAS 01042177 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01042177 has 0 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 BAS 01042177?
The CAS number of BAS 01042177 is 333780-56-6.
What is the molecular formula of BAS 01042177?
The molecular formula of BAS 01042177 is C21H25BrN2O4.
What is the molecular weight of BAS 01042177?
The molecular weight of BAS 01042177 is 448.10 g/mol.
Where can I buy BAS 01042177?
You can request a quote for BAS 01042177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01042177?
Yes, KEHONG BIO provides custom synthesis services for BAS 01042177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.