ChemDiv2_003761
TL;DR: ChemDiv2_003761 (CAS 314044-32-1) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: ChemDiv2_003761, BAS 01115328, IDI1_002476, N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, 2H,3H-benzo[3,4-e]1,4-dioxin-6-yl-N-(5-benzothiazol-2-yl-2-methylphenyl)carbox amide
| Molecular Formula | C23H18N2O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 5.29522 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.10382 |
| Heavy Atoms | 29 |
| Complexity | 1199.0104 |
Chemical Identifiers
| CAS Number | 314044-32-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
ChemDiv2_003761 (CAS 314044-32-1), with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of ChemDiv2_003761
Property Insights of ChemDiv2_003761
The XLogP value of 5.29522 indicates that ChemDiv2_003761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003761. Following Lipinski's Rule of Five, ChemDiv2_003761 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_003761?
The CAS number of ChemDiv2_003761 is 314044-32-1.
What is the molecular formula of ChemDiv2_003761?
The molecular formula of ChemDiv2_003761 is C23H18N2O3S.
What is the molecular weight of ChemDiv2_003761?
The molecular weight of ChemDiv2_003761 is 402.10 g/mol.
Where can I buy ChemDiv2_003761?
You can request a quote for ChemDiv2_003761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003761?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.