![9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one structure](/static/products/896/896806-56-7.png)
9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
TL;DR: 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 896806-56-7) is a chemical compound with molecular formula C26H29ClN4O3S and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[bis(2-hydroxyethyl)amino]-13-(3-chlorophenyl)-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: 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one, 9-[bis(2-hydroxyethyl)amino]-8-(3-chlorophenyl)-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 | C26H29ClN4O3S |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 4.127 |
| Topological Polar Surface Area | 91.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1649 |
| Heavy Atoms | 35 |
| Complexity | 1457.0194 |
Chemical Identifiers
| CAS Number | 896806-56-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=O)N(C(=N4)N(CCO)CCO)C5=CC(=CC=C5)Cl |
Product Overview
9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one (CAS 896806-56-7), with molecular formula C26H29ClN4O3S and molecular weight 512.16 g/mol. IUPAC: 14-[bis(2-hydroxyethyl)amino]-13-(3-chlorophenyl)-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 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Property Insights of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
The XLogP value of 4.127 indicates that 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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 91.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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, 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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 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-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The CAS number of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 896806-56-7.
What is the molecular formula of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular formula of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is C26H29ClN4O3S.
What is the molecular weight of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one?
The molecular weight of 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one is 512.16 g/mol.
Where can I buy 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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 9-(bis(2-hydroxyethyl)amino)-8-(3-chlorophenyl)-4-isobutyl-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.