![4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/889/889793-36-6.png)
4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 889793-36-6) is a chemical compound with molecular formula C27H31N5O2S2 and molecular weight 521.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 7-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C27H31N5O2S2 |
|---|---|
| Molecular Weight | 521.19 g/mol |
| LogP | 4.74602 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.1919 |
| Heavy Atoms | 36 |
| Complexity | 1553.1321 |
Chemical Identifiers
| CAS Number | 889793-36-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3SC5=C4C6=C(CCC6)C(=N5)CC(C)C |
Product Overview
4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 889793-36-6), with molecular formula C27H31N5O2S2 and molecular weight 521.19 g/mol. IUPAC: 12-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Chemical Property Profile of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.74602 indicates that 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine 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 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 889793-36-6.
What is the molecular formula of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C27H31N5O2S2.
What is the molecular weight of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 521.19 g/mol.
Where can I buy 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-isobutyl-7-(4-tosylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.