BIM-0014201.P001
TL;DR: BIM-0014201.P001 (CAS 304869-03-2) is a chemical compound with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-4-phenacyl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile
Also Known As: BIM-0014201.P001, 4-oxo-3-(2-oxo-2-phenylethyl)-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile, 4-oxo-3-phenacyl-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
| Molecular Formula | C20H18N4O2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 2.67898 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.14297 |
| Heavy Atoms | 26 |
| Complexity | 1086.9271 |
Chemical Identifiers
| CAS Number | 304869-03-2 |
|---|---|
| SMILES | C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=CC=C4)C#N |
Product Overview
BIM-0014201.P001 (CAS 304869-03-2), with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol. IUPAC: 3-oxo-4-phenacyl-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile.
Chemical Property Profile of BIM-0014201.P001
Property Insights of BIM-0014201.P001
The XLogP value of 2.67898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0014201.P001. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0014201.P001. Following Lipinski's Rule of Five, BIM-0014201.P001 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 BIM-0014201.P001?
The CAS number of BIM-0014201.P001 is 304869-03-2.
What is the molecular formula of BIM-0014201.P001?
The molecular formula of BIM-0014201.P001 is C20H18N4O2.
What is the molecular weight of BIM-0014201.P001?
The molecular weight of BIM-0014201.P001 is 346.14 g/mol.
Where can I buy BIM-0014201.P001?
You can request a quote for BIM-0014201.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0014201.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0014201.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.