![14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 structure](/static/products/896/896598-34-8.png)
14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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
TL;DR: 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 (CAS 896598-34-8) is a chemical compound with molecular formula C23H23ClN4O3S and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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: 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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, 9-(3-Chloro-phenyl)-10-(2-hydroxy-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one, 9-(3-chlorophenyl)-10-((2-hydroxyethyl)amino)-2,2,5-trimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one, 9-(3-chlorophenyl)-10-[(2-hydroxyethyl)amino]-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
| Molecular Formula | C23H23ClN4O3S |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 4.21272 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.11795 |
| Heavy Atoms | 32 |
| Complexity | 1426.7876 |
Chemical Identifiers
| CAS Number | 896598-34-8 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)NCCO)C5=CC(=CC=C5)Cl)SC3=N1)(C)C |
Product Overview
14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 (CAS 896598-34-8), with molecular formula C23H23ClN4O3S and molecular weight 470.12 g/mol. IUPAC: 14-(3-chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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
Property Insights of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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
The XLogP value of 4.21272 indicates that 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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. Following Lipinski's Rule of Five, 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 has 2 hydrogen bond donor(s) and 7 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 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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?
The CAS number of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 is 896598-34-8.
What is the molecular formula of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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?
The molecular formula of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 is C23H23ClN4O3S.
What is the molecular weight of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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?
The molecular weight of 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 is 470.12 g/mol.
Where can I buy 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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?
You can request a quote for 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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?
Yes, KEHONG BIO provides custom synthesis services for 14-(3-Chlorophenyl)-15-(2-hydroxyethylamino)-4,4,8-trimethyl-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.