![4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE structure](/static/products/799/799780-83-9.png)
4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
TL;DR: 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE (CAS 799780-83-9) is a chemical compound with molecular formula C25H26ClN3OS2 and molecular weight 483.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-chlorophenyl)methylsulfanyl]-4,4-dimethyl-8-(2-methylpropyl)-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-hexaene
Also Known As: 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE, 8-((4-chlorobenzyl)thio)-5-isobutyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-[(4-chlorobenzyl)sulfanyl]-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C25H26ClN3OS2 |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 7.235 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.12057 |
| Heavy Atoms | 32 |
| Complexity | 1298.5303 |
Chemical Identifiers
| CAS Number | 799780-83-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)Cl |
Product Overview
4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE (CAS 799780-83-9), with molecular formula C25H26ClN3OS2 and molecular weight 483.12 g/mol. IUPAC: 13-[(4-chlorophenyl)methylsulfanyl]-4,4-dimethyl-8-(2-methylpropyl)-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-hexaene.
Chemical Property Profile of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
Property Insights of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
The XLogP value of 7.235 indicates that 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE has 0 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 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The CAS number of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is 799780-83-9.
What is the molecular formula of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The molecular formula of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is C25H26ClN3OS2.
What is the molecular weight of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The molecular weight of 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is 483.12 g/mol.
Where can I buy 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
You can request a quote for 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 4-CHLOROBENZYL (5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.