ChemDiv3_002084
TL;DR: ChemDiv3_002084 (CAS 430432-43-2) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-hydroxyanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: ChemDiv3_002084, BAS 01217073, IDI1_021050, A2543/0108205, 4-[(4-Hydroxy-phenylamino)-methyl]-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 430432-43-2 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=C(C=C4)O |
| InChIKey | PDDDUZZNXYBJSX-UHFFFAOYSA-N |
Product Overview
ChemDiv3_002084 (CAS 430432-43-2), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 4-[(4-hydroxyanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of ChemDiv3_002084
Property Insights of ChemDiv3_002084
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002084. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002084. Following Lipinski's Rule of Five, ChemDiv3_002084 has 2 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 ChemDiv3_002084?
The CAS number of ChemDiv3_002084 is 430432-43-2.
What is the molecular formula of ChemDiv3_002084?
The molecular formula of ChemDiv3_002084 is C16H16N2O3.
What is the molecular weight of ChemDiv3_002084?
The molecular weight of ChemDiv3_002084 is 284.12 g/mol.
Where can I buy ChemDiv3_002084?
You can request a quote for ChemDiv3_002084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002084?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.