ChemDiv1_006316
TL;DR: ChemDiv1_006316 (CAS 6227-96-9) is a chemical compound with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: ChemDiv1_006316, BAS 02244894, BIM-0012740.P001, N-[2-(4-METHOXYPHENYL)-6-METHYL-2H-1,2,3-BENZOTRIAZOL-5-YL]-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBOXAMIDE, N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C23H20N4O4 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 3.76102 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.14847 |
| Heavy Atoms | 31 |
| Complexity | 1280.9762 |
Chemical Identifiers
| CAS Number | 6227-96-9 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_006316 (CAS 6227-96-9), with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol. IUPAC: N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of ChemDiv1_006316
Property Insights of ChemDiv1_006316
The XLogP value of 3.76102 indicates that ChemDiv1_006316 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006316. Following Lipinski's Rule of Five, ChemDiv1_006316 has 1 hydrogen bond donor(s) and 6 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_006316?
The CAS number of ChemDiv1_006316 is 6227-96-9.
What is the molecular formula of ChemDiv1_006316?
The molecular formula of ChemDiv1_006316 is C23H20N4O4.
What is the molecular weight of ChemDiv1_006316?
The molecular weight of ChemDiv1_006316 is 416.15 g/mol.
Where can I buy ChemDiv1_006316?
You can request a quote for ChemDiv1_006316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006316?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.