![1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/900/900280-99-1.png)
1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone (CAS 900280-99-1) is a chemical compound with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-yl)sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone, 1-(4-CHLOROPHENYL)-2-[(8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-4-YL)SULFANYL]-1-ETHANONE, 1-(4-chlorophenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C22H18ClN3O3S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 5.2507 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.07574 |
| Heavy Atoms | 30 |
| Complexity | 1284.5205 |
Chemical Identifiers
| CAS Number | 900280-99-1 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(O3)C(=NC=N4)SCC(=O)C5=CC=C(C=C5)Cl)C |
Product Overview
1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone (CAS 900280-99-1), with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaen-15-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 5.2507 indicates that 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone is 900280-99-1.
What is the molecular formula of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone is C22H18ClN3O3S.
What is the molecular weight of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone is 439.08 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.