![(5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester structure](/static/products/848/848685-87-0.png)
(5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester
TL;DR: (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester (CAS 848685-87-0) is a chemical compound with molecular formula C22H21N3O4S3 and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-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-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester, methyl {[5-(furan-2-yl)-2,2-dimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetate, methyl 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-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 | C22H21N3O4S3 |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 5.3378 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.06943 |
| Heavy Atoms | 32 |
| Complexity | 1331.9447 |
Chemical Identifiers
| CAS Number | 848685-87-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)SCC(=O)OC)C5=CC=CO5)C |
Product Overview
(5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester (CAS 848685-87-0), with molecular formula C22H21N3O4S3 and molecular weight 487.07 g/mol. IUPAC: methyl 2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-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-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester
Property Insights of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester
The XLogP value of 5.3378 indicates that (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl 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-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester has 0 hydrogen bond donor(s) and 10 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-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester?
The CAS number of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester is 848685-87-0.
What is the molecular formula of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester?
The molecular formula of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester is C22H21N3O4S3.
What is the molecular weight of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester?
The molecular weight of (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester is 487.07 g/mol.
Where can I buy (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester?
You can request a quote for (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl 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-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren- 8-ylsulfanyl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.