ChemDiv1_024413
TL;DR: ChemDiv1_024413 (CAS 327097-75-6) is a chemical compound with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)-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_024413, AH-262/08613021, 3-[2-(4-chlorophenyl)-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-chlorophenyl)-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 | C20H17ClN4O2 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.33238 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.104 |
| Heavy Atoms | 27 |
| Complexity | 1135.9738 |
Chemical Identifiers
| CAS Number | 327097-75-6 |
|---|---|
| SMILES | C1CCC2=C(C3=C(N2CC1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl)C#N |
Product Overview
ChemDiv1_024413 (CAS 327097-75-6), with molecular formula C20H17ClN4O2 and molecular weight 380.10 g/mol. IUPAC: 4-[2-(4-chlorophenyl)-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_024413
Property Insights of ChemDiv1_024413
The XLogP value of 3.33238 indicates that ChemDiv1_024413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024413. Following Lipinski's Rule of Five, ChemDiv1_024413 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 ChemDiv1_024413?
The CAS number of ChemDiv1_024413 is 327097-75-6.
What is the molecular formula of ChemDiv1_024413?
The molecular formula of ChemDiv1_024413 is C20H17ClN4O2.
What is the molecular weight of ChemDiv1_024413?
The molecular weight of ChemDiv1_024413 is 380.10 g/mol.
Where can I buy ChemDiv1_024413?
You can request a quote for ChemDiv1_024413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024413?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.