BAS 00655961
TL;DR: BAS 00655961 (CAS 93019-69-3) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BAS 00655961, 2-{[(4-methoxyphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(((4-Methoxyphenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-[(4-methoxyanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-([(4-Methoxyphenyl)amino]methyl)-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.0158 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 553.6898 |
Chemical Identifiers
| CAS Number | 93019-69-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O |
Product Overview
BAS 00655961 (CAS 93019-69-3), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 2-[(4-methoxyanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of BAS 00655961
Property Insights of BAS 00655961
The XLogP value of 2.0158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00655961. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00655961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00655961 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 00655961?
The CAS number of BAS 00655961 is 93019-69-3.
What is the molecular formula of BAS 00655961?
The molecular formula of BAS 00655961 is C16H18N2O3.
What is the molecular weight of BAS 00655961?
The molecular weight of BAS 00655961 is 286.13 g/mol.
Where can I buy BAS 00655961?
You can request a quote for BAS 00655961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655961?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.