ChemDiv1_007462
TL;DR: ChemDiv1_007462 (CAS 331661-49-5) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: ChemDiv1_007462, BAS 00335602, 2H,3H-benzo[e]1,4-dioxan-2-yl-N-(isochromanylmethyl)carboxamide, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.2566 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 745.65155 |
Chemical Identifiers
| CAS Number | 331661-49-5 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CNC(=O)C3COC4=CC=CC=C4O3 |
Product Overview
ChemDiv1_007462 (CAS 331661-49-5), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of ChemDiv1_007462
Property Insights of ChemDiv1_007462
The XLogP value of 2.2566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007462. With a topological polar surface area (TPSA) of 56.79 Ų, ChemDiv1_007462 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007462 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 ChemDiv1_007462?
The CAS number of ChemDiv1_007462 is 331661-49-5.
What is the molecular formula of ChemDiv1_007462?
The molecular formula of ChemDiv1_007462 is C19H19NO4.
What is the molecular weight of ChemDiv1_007462?
The molecular weight of ChemDiv1_007462 is 325.13 g/mol.
Where can I buy ChemDiv1_007462?
You can request a quote for ChemDiv1_007462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007462?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.