ChemDiv1_023457
TL;DR: ChemDiv1_023457 (CAS 300394-00-7) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile
Also Known As: ChemDiv1_023457, BIM-0027213.P001, AB00092169-01, 3-(2-(4-methoxyphenyl)-2-oxoethyl)-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile, 3-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 2.68758 |
| Topological Polar Surface Area | 89.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 1149.583 |
Chemical Identifiers
| CAS Number | 300394-00-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)N4CCCCCC4=C3C#N |
Product Overview
ChemDiv1_023457 (CAS 300394-00-7), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile.
Chemical Property Profile of ChemDiv1_023457
Property Insights of ChemDiv1_023457
The XLogP value of 2.68758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023457. The TPSA of 89.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023457. Following Lipinski's Rule of Five, ChemDiv1_023457 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_023457?
The CAS number of ChemDiv1_023457 is 300394-00-7.
What is the molecular formula of ChemDiv1_023457?
The molecular formula of ChemDiv1_023457 is C21H20N4O3.
What is the molecular weight of ChemDiv1_023457?
The molecular weight of ChemDiv1_023457 is 376.15 g/mol.
Where can I buy ChemDiv1_023457?
You can request a quote for ChemDiv1_023457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023457?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.