BAS 01177598
TL;DR: BAS 01177598 (CAS 306953-90-2) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenyl] acetate
Also Known As: BAS 01177598, (E)-2,6-dimethoxy-4-(((4-(2-methoxyphenyl)piperazin-1-yl)imino)methyl)phenyl acetate, [2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenyl] acetate, 2,6-dimethoxy-4-((E)-{[4-(2-methoxyphenyl)-1-piperazinyl]imino}methyl)phenyl acetate, 2,6-dimethoxy-4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]phenyl acetate
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 2.7938 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 882.3912 |
Chemical Identifiers
| CAS Number | 306953-90-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2CCN(CC2)C3=CC=CC=C3OC)OC |
Product Overview
BAS 01177598 (CAS 306953-90-2), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenyl] acetate.
Chemical Property Profile of BAS 01177598
Property Insights of BAS 01177598
The XLogP value of 2.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01177598. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01177598. Following Lipinski's Rule of Five, BAS 01177598 has 0 hydrogen bond donor(s) and 8 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 01177598?
The CAS number of BAS 01177598 is 306953-90-2.
What is the molecular formula of BAS 01177598?
The molecular formula of BAS 01177598 is C22H27N3O5.
What is the molecular weight of BAS 01177598?
The molecular weight of BAS 01177598 is 413.20 g/mol.
Where can I buy BAS 01177598?
You can request a quote for BAS 01177598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01177598?
Yes, KEHONG BIO provides custom synthesis services for BAS 01177598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.