ChemDiv3_005080
TL;DR: ChemDiv3_005080 (CAS 908229-16-3) is a chemical compound with molecular formula C20H23BrN4O2 and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv3_005080, IDI1_022990, AP-083/41604505, 9-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, BRD-A36067050-001-01-1
| Molecular Formula | C20H23BrN4O2 |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 2.90634 |
| Topological Polar Surface Area | 63.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.10043 |
| Heavy Atoms | 27 |
| Complexity | 1036.4481 |
Chemical Identifiers
| CAS Number | 908229-16-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(CN2C3=CC=CC=C3C4=C2C(=O)N(CC4)C)O)C)Br |
Product Overview
ChemDiv3_005080 (CAS 908229-16-3), with molecular formula C20H23BrN4O2 and molecular weight 430.10 g/mol. IUPAC: 9-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of ChemDiv3_005080
Property Insights of ChemDiv3_005080
The XLogP value of 2.90634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005080. The TPSA of 63.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005080. Following Lipinski's Rule of Five, ChemDiv3_005080 has 1 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_005080?
The CAS number of ChemDiv3_005080 is 908229-16-3.
What is the molecular formula of ChemDiv3_005080?
The molecular formula of ChemDiv3_005080 is C20H23BrN4O2.
What is the molecular weight of ChemDiv3_005080?
The molecular weight of ChemDiv3_005080 is 430.10 g/mol.
Where can I buy ChemDiv3_005080?
You can request a quote for ChemDiv3_005080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005080?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.