BAS 11194175
TL;DR: BAS 11194175 (CAS 876889-12-2) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: BAS 11194175, methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-4-(4-methylpiperazin-1-yl)benzoate, methyl 3-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 2.2485 |
| Topological Polar Surface Area | 80.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 953.78436 |
Chemical Identifiers
| CAS Number | 876889-12-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
BAS 11194175 (CAS 876889-12-2), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of BAS 11194175
Property Insights of BAS 11194175
The XLogP value of 2.2485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11194175. The TPSA of 80.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11194175. Following Lipinski's Rule of Five, BAS 11194175 has 1 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 BAS 11194175?
The CAS number of BAS 11194175 is 876889-12-2.
What is the molecular formula of BAS 11194175?
The molecular formula of BAS 11194175 is C22H25N3O5.
What is the molecular weight of BAS 11194175?
The molecular weight of BAS 11194175 is 411.18 g/mol.
Where can I buy BAS 11194175?
You can request a quote for BAS 11194175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11194175?
Yes, KEHONG BIO provides custom synthesis services for BAS 11194175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.