BAS 00331613
TL;DR: BAS 00331613 (CAS 358731-23-4) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: BAS 00331613, 2-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 4-{[4-(dimethylamino)benzylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione, (E)-2-((4-(dimethylamino)benzylidene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione, 2-({(E)-[4-(DIMETHYLAMINO)PHENYL]METHYLENE}AMINO)-3A,4,7,7A-TETRAHYDRO-1H-4,7-ETHANOISOINDOLE-1,3(2H)-DIONE
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.2837 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 703.4837 |
Chemical Identifiers
| CAS Number | 358731-23-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(=O)C3C4CCC(C3C2=O)C=C4 |
Product Overview
BAS 00331613 (CAS 358731-23-4), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: 4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00331613
Property Insights of BAS 00331613
The XLogP value of 2.2837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331613. With a topological polar surface area (TPSA) of 52.98 Ų, BAS 00331613 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00331613 has 0 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 00331613?
The CAS number of BAS 00331613 is 358731-23-4.
What is the molecular formula of BAS 00331613?
The molecular formula of BAS 00331613 is C19H21N3O2.
What is the molecular weight of BAS 00331613?
The molecular weight of BAS 00331613 is 323.16 g/mol.
Where can I buy BAS 00331613?
You can request a quote for BAS 00331613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331613?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.