![4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one structure](/static/products/799/799818-75-0.png)
4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
TL;DR: 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 799818-75-0) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methylpropyl)-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one
Also Known As: 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one, 4-Isobutyl-9-mercapto-2,3-dihydro-1H,8H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-one, 4-(2-methylpropyl)-9-sulfanyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-ol
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.88259 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 1010.0514 |
Chemical Identifiers
| CAS Number | 799818-75-0 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=O)NC(=S)N4 |
Product Overview
4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 799818-75-0), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 7-(2-methylpropyl)-14-sulfanylidene-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16)-tetraen-12-one.
Chemical Property Profile of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Property Insights of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
The XLogP value of 3.88259 indicates that 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one. Following Lipinski's Rule of Five, 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one has 2 hydrogen bond donor(s) and 4 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 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The CAS number of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 799818-75-0.
What is the molecular formula of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular formula of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is C16H17N3OS2.
What is the molecular weight of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular weight of 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 331.08 g/mol.
Where can I buy 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
You can request a quote for 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-isobutyl-9-mercapto-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.