N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide (CAS 353476-87-6) is a chemical compound with molecular formula C22H13NO5 and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: BIM-0045659.P001, N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide, F2299-0193, N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-1,3-benzodioxole-5-carboxamide, N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C22H13NO5 |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 3.443 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.07938 |
| Heavy Atoms | 28 |
| Complexity | 1181.2947 |
Chemical Identifiers
| CAS Number | 353476-87-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O |
Product Overview
N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide (CAS 353476-87-6), with molecular formula C22H13NO5 and molecular weight 371.08 g/mol. IUPAC: N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.443 indicates that N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-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-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide is 353476-87-6.
What is the molecular formula of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide is C22H13NO5.
What is the molecular weight of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide is 371.08 g/mol.
Where can I buy N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(9,10-dioxoanthracen-1-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.