ChemDiv1_005468
TL;DR: ChemDiv1_005468 (CAS 355819-09-9) is a chemical compound with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: ChemDiv1_005468, BIM-0045665.P001, AP-970/14561657, N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C23H20N4O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.06084 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.15353 |
| Heavy Atoms | 30 |
| Complexity | 1261.6749 |
Chemical Identifiers
| CAS Number | 355819-09-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCCO5)C |
Product Overview
ChemDiv1_005468 (CAS 355819-09-9), with molecular formula C23H20N4O3 and molecular weight 400.15 g/mol. IUPAC: N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of ChemDiv1_005468
Property Insights of ChemDiv1_005468
The XLogP value of 4.06084 indicates that ChemDiv1_005468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005468. Following Lipinski's Rule of Five, ChemDiv1_005468 has 1 hydrogen bond donor(s) and 5 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_005468?
The CAS number of ChemDiv1_005468 is 355819-09-9.
What is the molecular formula of ChemDiv1_005468?
The molecular formula of ChemDiv1_005468 is C23H20N4O3.
What is the molecular weight of ChemDiv1_005468?
The molecular weight of ChemDiv1_005468 is 400.15 g/mol.
Where can I buy ChemDiv1_005468?
You can request a quote for ChemDiv1_005468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005468?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.