BAS 00722181
TL;DR: BAS 00722181 (CAS 353524-06-8) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 00722181, BIM-0037054.P001, 2-{[(4-methoxyphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 3a,4,7,7a-Tetrahydro-2-[[(4-methoxyphenyl)amino]methyl]-4,7-methano-1H-isoindole-1,3(2H)-dione, 2-[(4-Methoxyanilino)methyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 1.8717 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 622.3728 |
Chemical Identifiers
| CAS Number | 353524-06-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCN2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
BAS 00722181 (CAS 353524-06-8), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 4-[(4-methoxyanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00722181
Property Insights of BAS 00722181
The XLogP value of 1.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00722181. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00722181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00722181 has 1 hydrogen bond donor(s) and 4 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 00722181?
The CAS number of BAS 00722181 is 353524-06-8.
What is the molecular formula of BAS 00722181?
The molecular formula of BAS 00722181 is C17H18N2O3.
What is the molecular weight of BAS 00722181?
The molecular weight of BAS 00722181 is 298.13 g/mol.
Where can I buy BAS 00722181?
You can request a quote for BAS 00722181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00722181?
Yes, KEHONG BIO provides custom synthesis services for BAS 00722181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.