ChemDiv2_004487
TL;DR: ChemDiv2_004487 (CAS 796879-99-7) is a chemical compound with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(benzotriazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv2_004487, IDI1_003202, F1555-0008, 9-(3-(1H-benzo[d][1,2,3]triazol-1-yl)-2-hydroxypropyl)-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, 9-[3-(benzotriazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
| Molecular Formula | C21H21N5O2 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | 2.0752 |
| Topological Polar Surface Area | 76.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.16953 |
| Heavy Atoms | 28 |
| Complexity | 1192.173 |
Chemical Identifiers
| CAS Number | 796879-99-7 |
|---|---|
| SMILES | CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CN4C5=CC=CC=C5N=N4)O |
Product Overview
ChemDiv2_004487 (CAS 796879-99-7), with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol. IUPAC: 9-[3-(benzotriazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of ChemDiv2_004487
Property Insights of ChemDiv2_004487
The XLogP value of 2.0752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004487. The TPSA of 76.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004487. Following Lipinski's Rule of Five, ChemDiv2_004487 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 ChemDiv2_004487?
The CAS number of ChemDiv2_004487 is 796879-99-7.
What is the molecular formula of ChemDiv2_004487?
The molecular formula of ChemDiv2_004487 is C21H21N5O2.
What is the molecular weight of ChemDiv2_004487?
The molecular weight of ChemDiv2_004487 is 375.17 g/mol.
Where can I buy ChemDiv2_004487?
You can request a quote for ChemDiv2_004487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004487?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.