ChemDiv3_004401
TL;DR: ChemDiv3_004401 (CAS 432012-30-1) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,14-diethyl-3,12-diazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-triene-4,11,15-trione
Also Known As: ChemDiv3_004401, IDI1_022311, BAS 05513833, AB00293157-03, AO-567/40646895
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 432012-30-1 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C(=O)C4=CC=CC=C4C3=O)CC |
| InChIKey | AGHOSPMNWRCWBC-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004401 (CAS 432012-30-1), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: 1,14-diethyl-3,12-diazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-triene-4,11,15-trione.
Chemical Property Profile of ChemDiv3_004401
Property Insights of ChemDiv3_004401
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004401. With a topological polar surface area (TPSA) of 57.7 Ų, ChemDiv3_004401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004401 has 0 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 ChemDiv3_004401?
The CAS number of ChemDiv3_004401 is 432012-30-1.
What is the molecular formula of ChemDiv3_004401?
The molecular formula of ChemDiv3_004401 is C19H22N2O3.
What is the molecular weight of ChemDiv3_004401?
The molecular weight of ChemDiv3_004401 is 326.16 g/mol.
Where can I buy ChemDiv3_004401?
You can request a quote for ChemDiv3_004401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004401?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.