ChemDiv3_005956
TL;DR: ChemDiv3_005956 (CAS 713098-32-9) is a chemical compound with molecular formula C23H22N4O and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-9-methyl-12-(4-methylphenyl)-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-11-one
Also Known As: ChemDiv3_005956, IDI1_023866, BRD-A23895992-001-01-1, 6-ethyl-6-methyl-4-(p-tolyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 6-ethyl-6-methyl-4-(4-methylphenyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C23H22N4O |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.07942 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.17935 |
| Heavy Atoms | 28 |
| Complexity | 1266.2472 |
Chemical Identifiers
| CAS Number | 713098-32-9 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=CN34)C5=CC=C(C=C5)C)C |
Product Overview
ChemDiv3_005956 (CAS 713098-32-9), with molecular formula C23H22N4O and molecular weight 370.18 g/mol. IUPAC: 9-ethyl-9-methyl-12-(4-methylphenyl)-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-11-one.
Chemical Property Profile of ChemDiv3_005956
Property Insights of ChemDiv3_005956
The XLogP value of 4.07942 indicates that ChemDiv3_005956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv3_005956 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005956 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_005956?
The CAS number of ChemDiv3_005956 is 713098-32-9.
What is the molecular formula of ChemDiv3_005956?
The molecular formula of ChemDiv3_005956 is C23H22N4O.
What is the molecular weight of ChemDiv3_005956?
The molecular weight of ChemDiv3_005956 is 370.18 g/mol.
Where can I buy ChemDiv3_005956?
You can request a quote for ChemDiv3_005956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005956?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.