J3.435.844C
TL;DR: J3.435.844C (CAS 459422-07-2) is a chemical compound with molecular formula C17H17BrN4O and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-bromophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: J3.435.844C, F1038-0413, AF-399/40888042, 9-(4-bromophenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one, 9-(4-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C17H17BrN4O |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.6987 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.05856 |
| Heavy Atoms | 23 |
| Complexity | 819.37384 |
Chemical Identifiers
| CAS Number | 459422-07-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC=N3)N2)C4=CC=C(C=C4)Br)C(=O)C1)C |
Product Overview
J3.435.844C (CAS 459422-07-2), with molecular formula C17H17BrN4O and molecular weight 372.06 g/mol. IUPAC: 9-(4-bromophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of J3.435.844C
Property Insights of J3.435.844C
The XLogP value of 3.6987 indicates that J3.435.844C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, J3.435.844C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.435.844C has 1 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 J3.435.844C?
The CAS number of J3.435.844C is 459422-07-2.
What is the molecular formula of J3.435.844C?
The molecular formula of J3.435.844C is C17H17BrN4O.
What is the molecular weight of J3.435.844C?
The molecular weight of J3.435.844C is 372.06 g/mol.
Where can I buy J3.435.844C?
You can request a quote for J3.435.844C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.435.844C?
Yes, KEHONG BIO provides custom synthesis services for J3.435.844C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.