![N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide structure](/static/products/7046/7046-97-1.webp)
N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide
TL;DR: N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide (CAS 7046-97-1) is a chemical compound with molecular formula C25H23F2N3O3S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-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-carboxamide
Also Known As: N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide
| Molecular Formula | C25H23F2N3O3S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 5.641 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.14282 |
| Heavy Atoms | 34 |
| Complexity | 1347.4805 |
Chemical Identifiers
| CAS Number | 7046-97-1 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC4=CC5=C(C=C4N=C32)OCO5)C(=O)NC6=CC=C(C=C6)SC(F)F)C)C |
Product Overview
N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide (CAS 7046-97-1), with molecular formula C25H23F2N3O3S and molecular weight 483.14 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-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-carboxamide.
Chemical Property Profile of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide
Property Insights of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide
The XLogP value of 5.641 indicates that N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide. Following Lipinski's Rule of Five, N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide?
The CAS number of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide is 7046-97-1.
What is the molecular formula of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide?
The molecular formula of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide is C25H23F2N3O3S.
What is the molecular weight of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide?
The molecular weight of N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide is 483.14 g/mol.
Where can I buy N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide?
You can request a quote for N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(Difluoromethyl)sulfanyl]phenyl}-9,12,12-trimethyl-8,9-dihydro-2H-6,9-methano[1,3]dioxolo[4,5-b]phenazine-6(7H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.