ChemDiv2_004359
TL;DR: ChemDiv2_004359 (CAS 316148-76-2) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: ChemDiv2_004359, IDI1_003074, A2122/0089077, 2-(1,3-benzodioxol-5-yl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(benzo[d][1,3]dioxol-5-yl)-8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.6731 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 814.9228 |
Chemical Identifiers
| CAS Number | 316148-76-2 |
|---|---|
| SMILES | CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C |
Product Overview
ChemDiv2_004359 (CAS 316148-76-2), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv2_004359
Property Insights of ChemDiv2_004359
The XLogP value of 2.6731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004359. With a topological polar surface area (TPSA) of 55.84 Ų, ChemDiv2_004359 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004359 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 ChemDiv2_004359?
The CAS number of ChemDiv2_004359 is 316148-76-2.
What is the molecular formula of ChemDiv2_004359?
The molecular formula of ChemDiv2_004359 is C19H17NO4.
What is the molecular weight of ChemDiv2_004359?
The molecular weight of ChemDiv2_004359 is 323.12 g/mol.
Where can I buy ChemDiv2_004359?
You can request a quote for ChemDiv2_004359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004359?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.