![N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide structure](/static/products/842/842966-52-3.png)
N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide
TL;DR: N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide (CAS 842966-52-3) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide
Also Known As: N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide, N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 4.45802 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1440.1688 |
Chemical Identifiers
| CAS Number | 842966-52-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1CC(=O)NC3=CC=C(C=C3)Cl)SC4=C2C=C5COC(CC5=N4)(C)C |
Product Overview
N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide (CAS 842966-52-3), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: N-(4-chlorophenyl)-2-(5,5,13-trimethyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl)acetamide.
Chemical Property Profile of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide
Property Insights of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide
The XLogP value of 4.45802 indicates that N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide?
The CAS number of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide is 842966-52-3.
What is the molecular formula of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide?
The molecular formula of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide is C23H21ClN4O3S.
What is the molecular weight of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide?
The molecular weight of N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide is 468.10 g/mol.
Where can I buy N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide?
You can request a quote for N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-4,7,8,10-tetrahydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.