N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 681479-65-2) is a chemical compound with molecular formula C18H11Cl2NO5 and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
Also Known As: UPCMLD0ENAT5952875:001, F1053-0503, N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,8-dichloro-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C18H11Cl2NO5 |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 3.7585 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.00143 |
| Heavy Atoms | 26 |
| Complexity | 1092.8671 |
Chemical Identifiers
| CAS Number | 681479-65-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide (CAS 681479-65-2), with molecular formula C18H11Cl2NO5 and molecular weight 391.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide
The XLogP value of 3.7585 indicates that N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide 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 N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is 681479-65-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is C18H11Cl2NO5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide is 391.00 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-6,8-dichloro-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.