BAS 00722188
TL;DR: BAS 00722188 (CAS 345237-52-7) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 00722188, 2-{[(2-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, A2431/0102989, 4-(2-toluidinomethyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 2-((o-tolylamino)methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 2.17152 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 621.9451 |
Chemical Identifiers
| CAS Number | 345237-52-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NCN2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
BAS 00722188 (CAS 345237-52-7), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: 4-[(2-methylanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00722188
Property Insights of BAS 00722188
The XLogP value of 2.17152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00722188. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 00722188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00722188 has 1 hydrogen bond donor(s) and 3 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 00722188?
The CAS number of BAS 00722188 is 345237-52-7.
What is the molecular formula of BAS 00722188?
The molecular formula of BAS 00722188 is C17H18N2O2.
What is the molecular weight of BAS 00722188?
The molecular weight of BAS 00722188 is 282.14 g/mol.
Where can I buy BAS 00722188?
You can request a quote for BAS 00722188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00722188?
Yes, KEHONG BIO provides custom synthesis services for BAS 00722188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.