![(5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester structure](/static/products/899/899376-44-4.png)
(5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester
TL;DR: (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester (CAS 899376-44-4) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetate
Also Known As: (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester, ethyl {[5-(2-furyl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]thio}acetate, ethyl {[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate, ethyl 2-((5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)acetate
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 5.006 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1281.3867 |
Chemical Identifiers
| CAS Number | 899376-44-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C5=CC=CO5 |
Product Overview
(5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester (CAS 899376-44-4), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: ethyl 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]acetate.
Chemical Property Profile of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester
Property Insights of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester
The XLogP value of 5.006 indicates that (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester. Following Lipinski's Rule of Five, (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester has 0 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 (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester?
The CAS number of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester is 899376-44-4.
What is the molecular formula of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester?
The molecular formula of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester is C22H21N3O4S2.
What is the molecular weight of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester?
The molecular weight of (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester is 455.10 g/mol.
Where can I buy (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester?
You can request a quote for (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Furan-2-yl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-aceti c acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.