![5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one structure](/static/products/799/799794-43-7.png)
5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
TL;DR: 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 799794-43-7) is a chemical compound with molecular formula C18H21N3O2S2 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-8-(2-methylpropyl)-15-sulfanylidene-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17)-tetraen-13-one
Also Known As: 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one, 2,2-dimethyl-5-(2-methylpropyl)-10-sulfanyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol
| Molecular Formula | C18H21N3O2S2 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 4.24519 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.1075 |
| Heavy Atoms | 25 |
| Complexity | 1105.3805 |
Chemical Identifiers
| CAS Number | 799794-43-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=O)NC(=S)N4 |
Product Overview
5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 799794-43-7), with molecular formula C18H21N3O2S2 and molecular weight 375.11 g/mol. IUPAC: 4,4-dimethyl-8-(2-methylpropyl)-15-sulfanylidene-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17)-tetraen-13-one.
Chemical Property Profile of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
Property Insights of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
The XLogP value of 4.24519 indicates that 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one. Following Lipinski's Rule of Five, 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The CAS number of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 799794-43-7.
What is the molecular formula of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The molecular formula of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is C18H21N3O2S2.
What is the molecular weight of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The molecular weight of 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 375.11 g/mol.
Where can I buy 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
You can request a quote for 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-isobutyl-10-mercapto-2,2-dimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.