![8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one structure](/static/products/899/899415-31-7.png)
8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
TL;DR: 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 899415-31-7) is a chemical compound with molecular formula C27H30ClN5OS and molecular weight 507.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3-chlorophenyl)-14-(4-methylpiperazin-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),14-pentaen-12-one
Also Known As: 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one, 8-(3-chlorophenyl)-9-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
| Molecular Formula | C27H30ClN5OS |
|---|---|
| Molecular Weight | 507.19 g/mol |
| LogP | 5.0878 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.18597 |
| Heavy Atoms | 35 |
| Complexity | 1499.5038 |
Chemical Identifiers
| CAS Number | 899415-31-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=O)N(C(=N4)N5CCN(CC5)C)C6=CC(=CC=C6)Cl |
Product Overview
8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 899415-31-7), with molecular formula C27H30ClN5OS and molecular weight 507.19 g/mol. IUPAC: 13-(3-chlorophenyl)-14-(4-methylpiperazin-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),14-pentaen-12-one.
Chemical Property Profile of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Property Insights of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
The XLogP value of 5.0878 indicates that 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-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. With a topological polar surface area (TPSA) of 54.26 Ų, 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one 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 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The CAS number of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 899415-31-7.
What is the molecular formula of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular formula of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is C27H30ClN5OS.
What is the molecular weight of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular weight of 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 507.19 g/mol.
Where can I buy 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-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 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-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 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-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 8-(3-chlorophenyl)-4-isobutyl-9-(4-methylpiperazin-1-yl)-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.