![Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate structure](/static/products/7046/7046-86-8.webp)
Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate (CAS 7046-86-8) is a chemical compound with molecular formula C28H27N3O7 and molecular weight 517.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate
| Molecular Formula | C28H27N3O7 |
|---|---|
| Molecular Weight | 517.18 g/mol |
| LogP | 3.8995 |
| Topological Polar Surface Area | 125.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.1849 |
| Heavy Atoms | 38 |
| Complexity | 1531.5278 |
Chemical Identifiers
| CAS Number | 7046-86-8 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC4=CC5=C(C=C4N=C32)OCO5)C(=O)NC6=CC(=CC(=C6)C(=O)OC)C(=O)OC)C)C |
Product Overview
Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate (CAS 7046-86-8), with molecular formula C28H27N3O7 and molecular weight 517.18 g/mol. IUPAC: dimethyl 5-[(15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate
The XLogP value of 3.8995 indicates that Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate is 7046-86-8.
What is the molecular formula of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate is C28H27N3O7.
What is the molecular weight of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate is 517.18 g/mol.
Where can I buy Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamido)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.