![9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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/896/896853-08-0.png)
9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
TL;DR: 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 896853-08-0) is a chemical compound with molecular formula C26H28ClN5O2S and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-chlorophenyl)-4,4,8-trimethyl-15-(4-methylpiperazin-1-yl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one
Also Known As: 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
| Molecular Formula | C26H28ClN5O2S |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 4.56032 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.16522 |
| Heavy Atoms | 35 |
| Complexity | 1534.8081 |
Chemical Identifiers
| CAS Number | 896853-08-0 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)N5CCN(CC5)C)C6=CC(=CC=C6)Cl)SC3=N1)(C)C |
Product Overview
9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 896853-08-0), with molecular formula C26H28ClN5O2S and molecular weight 509.17 g/mol. IUPAC: 14-(3-chlorophenyl)-4,4,8-trimethyl-15-(4-methylpiperazin-1-yl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one.
Chemical Property Profile of 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 4.56032 indicates that 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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, 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one 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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 896853-08-0.
What is the molecular formula of 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is C26H28ClN5O2S.
What is the molecular weight of 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 509.17 g/mol.
Where can I buy 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-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.